3-fluoro-4-methylbenzoyl chloride

3-fluoro-4-methylbenzoyl chloride

CAS: 59189-97-8

Formula: C8H6ClFO

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

IUPAC: 3-fluoro-4-methylbenzoyl chloride

InChI: InChI=1S/C8H6ClFO/c1-5-2-3-6(8(9)11)4-7(5)10/h2-4H,1H3

Composition: C (55.68%), H (3.50%), Cl (20.54%), F (11.01%), O (9.27%)

Molar Mass: 172.58

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.0091207
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DPWCZSXNEGNALT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.43
Topological Polar Surface Area	17.07
Polarizability	15.58
Ring Count	1
Rotatable Bond Count	1

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