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Home > Nitro Compounds > 13945-57-8
13945-57-8 | Carbamic acid, [(4-methyl-3-nitrophenyl)sulfonyl]-, ethyl ester (9CI)
CAS No: 13945-57-8 Catalog No: AG001B25 MDL No:
Product Description
Catalog Number:
AG001B25
Chemical Name:
Carbamic acid, [(4-methyl-3-nitrophenyl)sulfonyl]-, ethyl ester (9CI)
CAS Number:
13945-57-8
Molecular Formula:
C10H12N2O6S
Molecular Weight:
288.2771
IUPAC Name:
ethyl N-(4-methyl-3-nitrophenyl)sulfonylcarbamate
InChI:
InChI=1S/C10H12N2O6S/c1-3-18-10(13)11-19(16,17)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChI Key:
OLVPQVSSWREGQN-UHFFFAOYSA-N
SMILES:
CCOC(=O)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C
EC Number:
237-723-8
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.274g/mol
Monoisotopic Mass:
288.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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