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3-(2-chloro-6-fluoro-3-methylphenyl)prop-2-enoic acid

3-(2-chloro-6-fluoro-3-methylphenyl)prop-2-enoic acid

CAS: 261762-89-4

Formula: C10H8ClFO2

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

IUPAC: 3-(2-chloro-6-fluoro-3-methylphenyl)prop-2-enoic acid

InChI: InChI=1S/C10H8ClFO2/c1-6-2-4-8(12)7(10(6)11)3-5-9(13)14/h2-5H,1H3,(H,13,14)

Composition: C (55.96%), H (3.76%), Cl (16.52%), F (8.85%), O (14.91%)

Molar Mass: 214.62

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 214.0196854
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XURAOUQFLKLYBV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.12
Topological Polar Surface Area 37.3
Polarizability 19.52
Ring Count 1
Rotatable Bond Count 2

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