(3R)-3-amino-4-(4-bromophenyl)butanoic acid hydrochloride

(3R)-3-amino-4-(4-bromophenyl)butanoic acid hydrochloride

CAS: 331763-73-6

Formula: C10H13BrClNO2

SMILES: Cl.N[C@@H](CC(O)=O)CC1=CC=C(Br)C=C1

IUPAC: (3R)-3-amino-4-(4-bromophenyl)butanoic acid hydrochloride

InChI: InChI=1S/C10H12BrNO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m1./s1

Composition: C (40.77%), H (4.45%), Br (27.13%), Cl (12.03%), N (4.76%), O (10.86%)

Molar Mass: 294.57

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	292.981819
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QMUGXLUXLGZZSC-SBSPUUFOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.36
Topological Polar Surface Area	63.32
Polarizability	22.56
Ring Count	1
Rotatable Bond Count	4

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