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Home > Nitro Compounds > 780004-06-0
780004-06-0 | 4-nitro-L-phenylalanine ethyl ester
CAS No: 780004-06-0 Catalog No: AG00G40V MDL No:
Product Description
Catalog Number:
AG00G40V
Chemical Name:
4-nitro-L-phenylalanine ethyl ester
CAS Number:
780004-06-0
IUPAC Name:
ethyl (2S)-2-amino-3-(4-nitrophenyl)propanoate
InChI:
InChI=1S/C11H14N2O4/c1-2-17-11(14)10(12)7-8-3-5-9(6-4-8)13(15)16/h3-6,10H,2,7,12H2,1H3/t10-/m0/s1
InChI Key:
BNIKYBDDYIQCEB-JTQLQIEISA-N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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