benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride

C18H21Cl4N3O4 — CID 173294773

IUPACbenzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride
SMILESCC(C)(C)NN.Cl.O=C(Cl)c1cccc(Cl)c1[N+](=O)[O-].O=C(Cl)c1ccccc1
InChIInChI=1S/C7H3Cl2NO3.C7H5ClO.C4H12N2.ClH/c8-5-3-1-2-4(7(9)11)6(5)10(12)13;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h1-3H;1-5H;6H,5H2,1-3H3;1H
InChIKeyHXHXMLQJMMZDSO-UHFFFAOYSA-N
MW485.20 g/mol
LogP5.36
Rot. Bonds3

About benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride

benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride (PubChem CID 173294773) has the molecular formula C18H21Cl4N3O4 and a molecular weight of 485.20 g/mol. Its IUPAC name is benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride.

Molecular Properties

Compound Namebenzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride
PubChem CID173294773
Molecular FormulaC18H21Cl4N3O4
Molecular Weight485.20 g/mol
Exact Mass483.03
IUPAC Namebenzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride
SMILESCC(C)(C)NN.Cl.O=C(Cl)c1cccc(Cl)c1[N+](=O)[O-].O=C(Cl)c1ccccc1
InChIInChI=1S/C7H3Cl2NO3.C7H5ClO.C4H12N2.ClH/c8-5-3-1-2-4(7(9)11)6(5)10(12)13;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h1-3H;1-5H;6H,5H2,1-3H3;1H
InChIKeyHXHXMLQJMMZDSO-UHFFFAOYSA-N
XLogP5.36
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.20
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride
CID 173294629
benzoyl chloride;tert-butylhydrazine;4-chloro-2-methylbenzoyl chloride;hydrochloride
CID 173294769
benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride
CID 173294110
benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride
CID 173294727
3-chloro-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 103738044
3-chloro-N-(2-methylbutan-2-yl)-2-nitrobenzamide
CID 79833351
benzoyl chloride;4-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294591
2,3-dinitrobenzene-1,4-dicarbonyl chloride
CID 71323152
benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride
CID 173295061
3-chloro-N-(2-methylpropyl)-2-nitrobenzamide
CID 79821508
3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
CID 115541090
3-ethyl-2-nitrobenzoyl chloride
CID 139644229

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride?
The IUPAC name of benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride (CID 173294773) is benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride.
What is the SMILES notation for benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride?
The canonical SMILES for benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride is CC(C)(C)NN.Cl.O=C(Cl)c1cccc(Cl)c1[N+](=O)[O-].O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride?
The InChIKey is HXHXMLQJMMZDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NO3.C7H5ClO.C4H12N2.ClH/c8-5-3-1-2-4(7(9)11)6(5)10(12)13;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h1-3H;1-5H;6H,5H2,1-3H3;1H.
What are the key properties of benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride?
benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride has a molecular weight of 485.20 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride is sourced from PubChem (CID 173294773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).