3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride

C16H12Cl2N2O2 — CID 134935810

IUPAC3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride
SMILESCc1c(/N=N/c2cccc(C(=O)Cl)c2C)cccc1C(=O)Cl
InChIInChI=1S/C16H12Cl2N2O2/c1-9-11(15(17)21)5-3-7-13(9)19-20-14-8-4-6-12(10(14)2)16(18)22/h3-8H,1-2H3/b20-19+
InChIKeyIJYWIXGVYFQKJR-FMQUCBEESA-N
MW335.19 g/mol
LogP5.48
Rot. Bonds4

About 3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride

3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride (PubChem CID 134935810) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride.

Molecular Properties

Compound Name3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride
PubChem CID134935810
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride
SMILESCc1c(/N=N/c2cccc(C(=O)Cl)c2C)cccc1C(=O)Cl
InChIInChI=1S/C16H12Cl2N2O2/c1-9-11(15(17)21)5-3-7-13(9)19-20-14-8-4-6-12(10(14)2)16(18)22/h3-8H,1-2H3/b20-19+
InChIKeyIJYWIXGVYFQKJR-FMQUCBEESA-N
XLogP5.48
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.19
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-carbonochloridoyl-2-methylbenzoic acid
CID 89389383
3-(fluoromethyl)-2-methylbenzoyl chloride
CID 141403868
3-nitrosobenzene-1,2-dicarbonyl chloride
CID 175328999
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
2,3-bis(sulfinylamino)benzoyl chloride
CID 19021054
benzene-1,2-dicarbonyl chloride;thiohypochlorous acid
CID 172771249
disodium;2-methylbenzene-1,3-dicarboxylate
CID 70439180
2-chlorobenzoyl chloride;iron;1,2-xylene
CID 174484183
8-methoxynaphthalene-1-carbonyl chloride
CID 14175958
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
2,3-dimethylbenzohydrazide
CID 16790549
3-[(1-amino-2-chloroethylidene)amino]-N,2-dimethylbenzamide
CID 169366346

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride?
The IUPAC name of 3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride (CID 134935810) is 3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride.
What is the SMILES notation for 3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride?
The canonical SMILES for 3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride is Cc1c(/N=N/c2cccc(C(=O)Cl)c2C)cccc1C(=O)Cl.
What is the InChIKey of 3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride?
The InChIKey is IJYWIXGVYFQKJR-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-9-11(15(17)21)5-3-7-13(9)19-20-14-8-4-6-12(10(14)2)16(18)22/h3-8H,1-2H3/b20-19+.
What are the key properties of 3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride?
3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride has a molecular weight of 335.19 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride is sourced from PubChem (CID 134935810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).