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2-chloro-3-methylbenzoyl chloride

2-chloro-3-methylbenzoyl chloride

CAS: 21900-56-1

Formula: C8H6Cl2O

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

IUPAC: 2-chloro-3-methylbenzoyl chloride

InChI: InChI=1S/C8H6Cl2O/c1-5-3-2-4-6(7(5)9)8(10)11/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 FUUCTBPASNZPKE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.02
Topological Polar Surface Area 17.07
Polarizability 17.77
Ring Count 1
Rotatable Bond Count 1

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