(2E)-3-(3-bromo-4-fluorophenyl)prop-2-enoic acid

(2E)-3-(3-bromo-4-fluorophenyl)prop-2-enoic acid

CAS: 370867-85-9

Formula: C9H6BrFO2

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

IUPAC: (2E)-3-(3-bromo-4-fluorophenyl)prop-2-enoic acid

InChI: InChI=1S/C9H6BrFO2/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+

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	ZNIGVADAKXOMQH-DUXPYHPUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.9
Topological Polar Surface Area	37.3
Polarizability	18.83
Ring Count	1
Rotatable Bond Count	2

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