2,3-difluoro-4-methylbenzoyl chloride

2,3-difluoro-4-methylbenzoyl chloride

CAS: 261763-38-6

Formula: C8H5ClF2O

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

IUPAC: 2,3-difluoro-4-methylbenzoyl chloride

InChI: InChI=1S/C8H5ClF2O/c1-4-2-3-5(8(9)12)7(11)6(4)10/h2-3H,1H3

Composition: C (50.42%), H (2.64%), Cl (18.60%), F (19.94%), O (8.40%)

Molar Mass: 190.57

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.9996988
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	IHRMSSGDXMQPBA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.65
Topological Polar Surface Area	17.07
Polarizability	15.41
Ring Count	1
Rotatable Bond Count	1

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