(3S)-3-amino-3-(4-bromophenyl)propan-1-ol

(3S)-3-amino-3-(4-bromophenyl)propan-1-ol

CAS: 1143534-62-6

Formula: C9H12BrNO

SMILES: N[C@@H](CCO)C1=CC=C(Br)C=C1

IUPAC: (3S)-3-amino-3-(4-bromophenyl)propan-1-ol

InChI: InChI=1S/C9H12BrNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m0/s1

Composition: C (46.98%), H (5.26%), Br (34.73%), N (6.09%), O (6.95%)

Molar Mass: 230.105

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	229.010227
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XWXQMFXVRNFZOH-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.98
Topological Polar Surface Area	46.25
Polarizability	20.75
Ring Count	1
Rotatable Bond Count	3

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