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123098-44-2 | Phenylalanine, 2-bromo-N-[(phenylmethoxy)carbonyl]-
CAS No: 123098-44-2 Catalog No: AG000K0U MDL No:MFCD06223280
Product Description
Catalog Number:
AG000K0U
Chemical Name:
Phenylalanine, 2-bromo-N-[(phenylmethoxy)carbonyl]-
CAS Number:
123098-44-2
Molecular Formula:
C17H16BrNO4
Molecular Weight:
378.2172
MDL Number:
MFCD06223280
IUPAC Name:
(2R)-3-(2-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C17H16BrNO4/c18-14-9-5-4-8-13(14)10-15(16(20)21)19-17(22)23-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m1/s1
InChI Key:
OTRUVLWVVBIRGJ-OAHLLOKOSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1Br)OCc1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
377.026g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.222g/mol
Monoisotopic Mass:
377.026g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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