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1-(2-fluorophenyl)-3-hydroxypropan-2-one

1-(2-fluorophenyl)-3-hydroxypropan-2-one

CAS: 1227750-59-5

Formula: C9H9FO2

SMILES: OCC(=O)CC1=C(F)C=CC=C1

IUPAC: 1-(2-fluorophenyl)-3-hydroxypropan-2-one

InChI: InChI=1S/C9H9FO2/c10-9-4-2-1-3-7(9)5-8(12)6-11/h1-4,11H,5-6H2

Composition: C (64.28%), H (5.39%), F (11.30%), O (19.03%)

Molar Mass: 168.167

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 168.058657693
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SCRBFIAXKXVJHD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.84
Topological Polar Surface Area 37.3
Polarizability 16.24
Ring Count 1
Rotatable Bond Count 3

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