3-[(4-bromophenyl)carbamoyl]propanoic acid

3-[(4-bromophenyl)carbamoyl]propanoic acid

CAS: 25589-41-7

Formula: C10H10BrNO3

SMILES: OC(=O)CCC(=O)NC1=CC=C(Br)C=C1

IUPAC: 3-[(4-bromophenyl)carbamoyl]propanoic acid

InChI: InChI=1S/C10H10BrNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

Composition: C (44.14%), H (3.70%), Br (29.37%), N (5.15%), O (17.64%)

Molar Mass: 272.098

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	270.984406
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MJQBQVIGARYLLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.44
Topological Polar Surface Area	66.4
Polarizability	22.37
Ring Count	1
Rotatable Bond Count	4

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