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122332-24-5 | D-Phenylalanine, 4-bromo-, methyl ester
CAS No: 122332-24-5 Catalog No: AG00174T MDL No:MFCD08058268
Product Description
Catalog Number:
AG00174T
Chemical Name:
D-Phenylalanine, 4-bromo-, methyl ester
CAS Number:
122332-24-5
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD08058268
IUPAC Name:
methyl (2R)-2-amino-3-(4-bromophenyl)propanoate
InChI:
InChI=1S/C10H12BrNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m1/s1
InChI Key:
YQWYXOBDKUWXCE-SECBINFHSA-N
SMILES:
COC(=O)[C@@H](Cc1ccc(cc1)Br)N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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