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Home > Nitro Compounds > 17193-40-7
17193-40-7 | L-Phenylalanine, 4-nitro-, methyl ester, monohydrochloride
CAS No: 17193-40-7 Catalog No: AG00HZK9 MDL No:MFCD00135754
Product Description
Catalog Number:
AG00HZK9
Chemical Name:
L-Phenylalanine, 4-nitro-, methyl ester, monohydrochloride
CAS Number:
17193-40-7
Molecular Formula:
C10H13ClN2O4
Molecular Weight:
260.6742
MDL Number:
MFCD00135754
IUPAC Name:
methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C10H12N2O4.ClH/c1-16-10(13)9(11)6-7-2-4-8(5-3-7)12(14)15;/h2-5,9H,6,11H2,1H3;1H/t9-;/m0./s1
InChI Key:
BTHMRXRBXYHLRA-FVGYRXGTSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)N(=O)=O)N.Cl
EC Number:
605-624-2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.674g/mol
Monoisotopic Mass:
260.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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