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Home > Nitro Compounds > 2951-53-3
2951-53-3 | Carbamic acid, N-[[(4-methylphenyl)sulfonyl]methyl]-N-nitroso-, ethyl ester
CAS No: 2951-53-3 Catalog No: AG002YM2 MDL No:
Product Description
Catalog Number:
AG002YM2
Chemical Name:
Carbamic acid, N-[[(4-methylphenyl)sulfonyl]methyl]-N-nitroso-, ethyl ester
CAS Number:
2951-53-3
Molecular Formula:
C11H14N2O5S
Molecular Weight:
286.3043
IUPAC Name:
ethyl N-[(4-methylphenyl)sulfonylmethyl]-N-nitrosocarbamate
InChI:
InChI=1S/C11H14N2O5S/c1-3-18-11(14)13(12-15)8-19(16,17)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChI Key:
XHJDJGHDCNGMQS-UHFFFAOYSA-N
SMILES:
CCOC(=O)N(CS(=O)(=O)c1ccc(cc1)C)N=O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.302g/mol
Monoisotopic Mass:
286.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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