(2E)-3-(4-bromophenyl)prop-2-enoic acid

(2E)-3-(4-bromophenyl)prop-2-enoic acid

CAS: 1200-07-3

Formula: C9H7BrO2

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

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

InChI: InChI=1S/C9H7BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+

Composition: C (47.61%), H (3.11%), Br (35.19%), O (14.09%)

Molar Mass: 227.057

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.962942
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CPDDDTNAMBSPRN-ZZXKWVIFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.68
Topological Polar Surface Area	37.3
Polarizability	18.97
Ring Count	1
Rotatable Bond Count	2

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