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Home > Nitro Compounds > 7685-70-3
7685-70-3 | N-[(o-nitrophenyl)thio]-L-threonine
CAS No: 7685-70-3 Catalog No: AG00GFPC MDL No:
Product Description
Catalog Number:
AG00GFPC
Chemical Name:
N-[(o-nitrophenyl)thio]-L-threonine
CAS Number:
7685-70-3
IUPAC Name:
(2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoic acid
InChI:
InChI=1S/C10H12N2O5S/c1-6(13)9(10(14)15)11-18-8-5-3-2-4-7(8)12(16)17/h2-6,9,11,13H,1H3,(H,14,15)/t6-,9+/m1/s1
InChI Key:
QJMPRIHAPGGFMA-MUWHJKNJSA-N
EC Number:
231-692-4
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
272.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.275g/mol
Monoisotopic Mass:
272.047g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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