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259752-10-8 | L-Phenylalanine, N-acetyl-2-bromo-
CAS No: 259752-10-8 Catalog No: AG002R8W MDL No:
Product Description
Catalog Number:
AG002R8W
Chemical Name:
L-Phenylalanine, N-acetyl-2-bromo-
CAS Number:
259752-10-8
Molecular Formula:
C11H12BrNO3
Molecular Weight:
286.1219
IUPAC Name:
(2S)-2-acetamido-3-(2-bromophenyl)propanoic acid
InChI:
InChI=1S/C11H12BrNO3/c1-7(14)13-10(11(15)16)6-8-4-2-3-5-9(8)12/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
InChI Key:
GNQCQGMGPLISBV-JTQLQIEISA-N
SMILES:
CC(=O)N[C@H](C(=O)O)Cc1ccccc1Br
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
285g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.125g/mol
Monoisotopic Mass:
285g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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