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1143534-62-6 | Benzenepropanol, γ-amino-4-bromo-, (γS)-
CAS No: 1143534-62-6 Catalog No: AG000B4M MDL No:
Product Description
Catalog Number:
AG000B4M
Chemical Name:
Benzenepropanol, γ-amino-4-bromo-, (γS)-
CAS Number:
1143534-62-6
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
IUPAC Name:
(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
InChI Key:
XWXQMFXVRNFZOH-VIFPVBQESA-N
SMILES:
OCC[C@@H](c1ccc(cc1)Br)N
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
229.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.105g/mol
Monoisotopic Mass:
229.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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