2,4-dimethylbenzoyl chloride

2,4-dimethylbenzoyl chloride

CAS: 21900-42-5

Formula: C9H9ClO

SMILES: CC1=CC=C(C(Cl)=O)C(C)=C1

IUPAC: 2,4-dimethylbenzoyl chloride

InChI: InChI=1S/C9H9ClO/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3

Composition: C (64.11%), H (5.38%), Cl (21.02%), O (9.49%)

Molar Mass: 168.62

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.0341926
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JUOGRBULLOEKKQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.26
Topological Polar Surface Area	17.07
Polarizability	17.6
Ring Count	1
Rotatable Bond Count	1

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