3-amino-3-(3-bromophenyl)propanoic acid

3-amino-3-(3-bromophenyl)propanoic acid

CAS: 117391-50-1

Formula: C9H10BrNO2

SMILES: NC(CC(O)=O)C1=CC(Br)=CC=C1

IUPAC: 3-amino-3-(3-bromophenyl)propanoic acid

InChI: InChI=1/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)

Composition: C (44.29%), H (4.13%), Br (32.74%), N (5.74%), O (13.11%)

Molar Mass: 244.088

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	242.989492
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RLYAXKJHJUXZOT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.61
Topological Polar Surface Area	63.32
Polarizability	20.75
Ring Count	1
Rotatable Bond Count	3

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