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3-(2-chloro-5-fluorophenyl)prop-2-enoic acid

3-(2-chloro-5-fluorophenyl)prop-2-enoic acid

CAS: 448193-92-8

Formula: C9H6ClFO2

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

IUPAC: 3-(2-chloro-5-fluorophenyl)prop-2-enoic acid

InChI: InChI=1S/C9H6ClFO2/c10-8-3-2-7(11)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)

Composition: C (53.89%), H (3.02%), Cl (17.67%), F (9.47%), O (15.95%)

Molar Mass: 200.59

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.0040353
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AQNXBGSCEKKECO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.08
Topological Polar Surface Area 37.3
Polarizability 17.77
Ring Count 1
Rotatable Bond Count 2

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