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(2E)-3-(2,5-difluorophenyl)prop-2-enoic acid

(2E)-3-(2,5-difluorophenyl)prop-2-enoic acid

CAS: 112898-33-6

Formula: C9H6F2O2

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

IUPAC: (2E)-3-(2,5-difluorophenyl)prop-2-enoic acid

InChI: InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+

Composition: C (58.70%), H (3.28%), F (20.63%), O (17.38%)

Molar Mass: 184.142

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 184.033585759
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XAWHCSKPALFWBI-DAFODLJHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.49
Topological Polar Surface Area 37.3
Polarizability 15.62
Ring Count 1
Rotatable Bond Count 2

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