benzoyl azide;hydrochloride

C7H6ClN3O — CID 174620684

IUPACbenzoyl azide;hydrochloride
SMILESCl.[N-]=[N+]=NC(=O)c1ccccc1
InChIInChI=1S/C7H5N3O.ClH/c8-10-9-7(11)6-4-2-1-3-5-6;/h1-5H;1H
InChIKeyPLSDCRNHQREFTR-UHFFFAOYSA-N
MW183.60 g/mol
LogP2.56
Rot. Bonds1

About benzoyl azide;hydrochloride

benzoyl azide;hydrochloride (PubChem CID 174620684) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is benzoyl azide;hydrochloride.

Molecular Properties

Compound Namebenzoyl azide;hydrochloride
PubChem CID174620684
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Namebenzoyl azide;hydrochloride
SMILESCl.[N-]=[N+]=NC(=O)c1ccccc1
InChIInChI=1S/C7H5N3O.ClH/c8-10-9-7(11)6-4-2-1-3-5-6;/h1-5H;1H
InChIKeyPLSDCRNHQREFTR-UHFFFAOYSA-N
XLogP2.56
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

benzoyl azide;(NE)-N-ethylidenehydroxylamine
CID 135184096
4-(4-carbonazidoylphenyl)benzoyl azide
CID 101036064
3-phenylbenzoic acid;3-phenylbenzoyl azide
CID 160691577
2-oxo-2-phenylacetyl azide
CID 54447915
3-fluorobenzoyl azide
CID 12613734
4-ethylbenzoyl azide
CID 43307154
benzoyl azide;4-(sulfinatoamino)-2H-triazole
CID 174803353
4-(2-cyanoacetyl)benzoyl azide
CID 143581887
4-(methylaminosulfanyl)benzoyl azide
CID 169189363
CID 131851272
CID 131851272
3-pyridin-3-ylbenzoyl azide
CID 89407530
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of benzoyl azide;hydrochloride?
The IUPAC name of benzoyl azide;hydrochloride (CID 174620684) is benzoyl azide;hydrochloride.
What is the SMILES notation for benzoyl azide;hydrochloride?
The canonical SMILES for benzoyl azide;hydrochloride is Cl.[N-]=[N+]=NC(=O)c1ccccc1.
What is the InChIKey of benzoyl azide;hydrochloride?
The InChIKey is PLSDCRNHQREFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O.ClH/c8-10-9-7(11)6-4-2-1-3-5-6;/h1-5H;1H.
What are the key properties of benzoyl azide;hydrochloride?
benzoyl azide;hydrochloride has a molecular weight of 183.60 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl azide;hydrochloride is sourced from PubChem (CID 174620684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).