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(2E)-3-(2-bromo-5-chlorophenyl)prop-2-enoic acid

(2E)-3-(2-bromo-5-chlorophenyl)prop-2-enoic acid

CAS: 1262012-16-7

Formula: C9H6BrClO2

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

IUPAC: (2E)-3-(2-bromo-5-chlorophenyl)prop-2-enoic acid

InChI: InChI=1S/C9H6BrClO2/c10-8-3-2-7(11)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+

Composition: C (41.34%), H (2.31%), Br (30.56%), Cl (13.56%), O (12.24%)

Molar Mass: 261.5

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 259.92397
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IYNJYSNCWOJZLX-DAFODLJHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.49
Topological Polar Surface Area 37.3
Polarizability 20.94
Ring Count 1
Rotatable Bond Count 2

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