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4-chloro-3-methylbenzoyl chloride

4-chloro-3-methylbenzoyl chloride

CAS: 21900-24-3

Formula: C8H6Cl2O

SMILES: CC1=CC(=CC=C1Cl)C(Cl)=O

IUPAC: 4-chloro-3-methylbenzoyl chloride

InChI: InChI=1S/C8H6Cl2O/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3

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 NECBSSKNQDXVKN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.02
Topological Polar Surface Area 17.07
Polarizability 17.76
Ring Count 1
Rotatable Bond Count 1

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