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Home > Nitro Compounds > 7685-71-4
7685-71-4 | L-Valine, N-[(2-nitrophenyl)thio]-
CAS No: 7685-71-4 Catalog No: AG005882 MDL No:
Product Description
Catalog Number:
AG005882
Chemical Name:
L-Valine, N-[(2-nitrophenyl)thio]-
CAS Number:
7685-71-4
Molecular Formula:
C11H14N2O4S
Molecular Weight:
270.3049
IUPAC Name:
(2S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]butanoic acid
InChI:
InChI=1S/C11H14N2O4S/c1-7(2)10(11(14)15)12-18-9-6-4-3-5-8(9)13(16)17/h3-7,10,12H,1-2H3,(H,14,15)/t10-/m0/s1
InChI Key:
RNNCKYUTWDXPND-JTQLQIEISA-N
SMILES:
CC([C@@H](C(=O)O)NSc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
270.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.303g/mol
Monoisotopic Mass:
270.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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