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275826-35-2 | Benzenepropanoic acid, β-amino-3-bromo-, (βS)-
CAS No: 275826-35-2 Catalog No: AG002U5E MDL No:MFCD04113686
Product Description
Catalog Number:
AG002U5E
Chemical Name:
Benzenepropanoic acid, β-amino-3-bromo-, (βS)-
CAS Number:
275826-35-2
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD04113686
IUPAC Name:
(3S)-3-amino-3-(3-bromophenyl)propanoic acid
InChI:
InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChI Key:
RLYAXKJHJUXZOT-QMMMGPOBSA-N
SMILES:
OC(=O)C[C@@H](c1cccc(c1)Br)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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