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

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

CAS: 202865-71-2

Formula: C9H6BrFO2

SMILES: OC(=O)C=CC1=CC(Br)=CC=C1F

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

InChI: InChI=1S/C9H6BrFO2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)

Composition: C (44.11%), H (2.47%), Br (32.61%), F (7.75%), O (13.06%)

Molar Mass: 245.047

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.953521
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ROTBALNVXDGIQY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.9
Topological Polar Surface Area	37.3
Polarizability	18.82
Ring Count	1
Rotatable Bond Count	2

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