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Home > Nitro Compounds > 127641-82-1
127641-82-1 | D-Phenylalanine, 4-nitro-, ethyl ester, hydrochloride (1:1)
CAS No: 127641-82-1 Catalog No: AG000X8T MDL No:MFCD08458584
Product Description
Catalog Number:
AG000X8T
Chemical Name:
D-Phenylalanine, 4-nitro-, ethyl ester, hydrochloride (1:1)
CAS Number:
127641-82-1
Molecular Formula:
C11H15ClN2O4
Molecular Weight:
274.7008
MDL Number:
MFCD08458584
IUPAC Name:
ethyl (2R)-2-amino-3-(4-nitrophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C11H14N2O4.ClH/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;1H/t10-;/m1./s1
InChI Key:
HHZUMTWHYNIFOC-HNCPQSOCSA-N
SMILES:
CCOC(=O)[C@@H](Cc1ccc(cc1)[N+](=O)[O-])N.Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
274.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.701g/mol
Monoisotopic Mass:
274.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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