benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride

C22H31Cl3N2O2 — CID 173294057

IUPACbenzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
SMILESCC(C)(C)NN.CC(C)(C)c1ccc(C(=O)Cl)cc1.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C11H13ClO.C7H5ClO.C4H12N2.ClH/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h4-7H,1-3H3;1-5H;6H,5H2,1-3H3;1H
InChIKeyJZZDWIBBDHJGPD-UHFFFAOYSA-N
MW461.86 g/mol
LogP6.10
Rot. Bonds2

About benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride

benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride (PubChem CID 173294057) has the molecular formula C22H31Cl3N2O2 and a molecular weight of 461.86 g/mol. Its IUPAC name is benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride.

Molecular Properties

Compound Namebenzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
PubChem CID173294057
Molecular FormulaC22H31Cl3N2O2
Molecular Weight461.86 g/mol
Exact Mass460.15
IUPAC Namebenzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
SMILESCC(C)(C)NN.CC(C)(C)c1ccc(C(=O)Cl)cc1.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C11H13ClO.C7H5ClO.C4H12N2.ClH/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h4-7H,1-3H3;1-5H;6H,5H2,1-3H3;1H
InChIKeyJZZDWIBBDHJGPD-UHFFFAOYSA-N
XLogP6.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.86
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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;4-(trifluoromethoxy)benzoyl chloride;hydrochloride
CID 173295061
benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride
CID 173294110
benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride
CID 173294727
benzoyl chloride;4-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294591
benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride
CID 173294596
benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride
CID 173294666
benzoyl chloride;hydrazine
CID 19933227
benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride
CID 173294773
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride
CID 139675989

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride?
The IUPAC name of benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride (CID 173294057) is benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride.
What is the SMILES notation for benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride?
The canonical SMILES for benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride is CC(C)(C)NN.CC(C)(C)c1ccc(C(=O)Cl)cc1.Cl.O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride?
The InChIKey is JZZDWIBBDHJGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO.C7H5ClO.C4H12N2.ClH/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h4-7H,1-3H3;1-5H;6H,5H2,1-3H3;1H.
What are the key properties of benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride?
benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride has a molecular weight of 461.86 g/mol, XLogP of 6.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride is sourced from PubChem (CID 173294057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).