4-(chloromethyl)benzoyl chloride

4-(chloromethyl)benzoyl chloride

CAS: 876-08-4

Formula: C8H6Cl2O

SMILES: ClCC1=CC=C(C=C1)C(Cl)=O

IUPAC: 4-(chloromethyl)benzoyl chloride

InChI: InChI=1S/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2

Composition: C (50.83%), H (3.20%), Cl (37.51%), O (8.46%)

Molar Mass: 189.04

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.9795702
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RCOVTJVRTZGSBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.04
Topological Polar Surface Area	17.07
Polarizability	17.78
Ring Count	1
Rotatable Bond Count	2

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