(4-bromo-3-fluorophenyl)(cyclopentyl)methanone

(4-bromo-3-fluorophenyl)(cyclopentyl)methanone

CAS: 898791-58-7

Formula: C12H12BrFO

SMILES: FC1=C(Br)C=CC(=C1)C(=O)C1CCCC1

IUPAC: (4-bromo-3-fluorophenyl)(cyclopentyl)methanone

InChI: InChI=1S/C12H12BrFO/c13-10-6-5-9(7-11(10)14)12(15)8-3-1-2-4-8/h5-8H,1-4H2

Composition: C (53.16%), H (4.46%), Br (29.47%), F (7.01%), O (5.90%)

Molar Mass: 271.129

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	270.005556
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	WZTWBENFWHDUQL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.9
Topological Polar Surface Area	17.07
Polarizability	23.23
Ring Count	2
Rotatable Bond Count	2

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