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1991-79-3 | Phenylalanine, 2-bromo-
CAS No: 1991-79-3 Catalog No: AG002BWC MDL No:MFCD03092958
Product Description
Catalog Number:
AG002BWC
Chemical Name:
Phenylalanine, 2-bromo-
CAS Number:
1991-79-3
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD03092958
IUPAC Name:
2-amino-3-(2-bromophenyl)propanoic acid
InChI:
InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChI Key:
JFVLNTLXEZDFHW-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccccc1Br)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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