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Home > Nitro Compounds > 198572-71-3
198572-71-3 | Carbamic acid, N-[(2-nitrophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 198572-71-3 Catalog No: AG002BMC MDL No:MFCD06796217
Product Description
Catalog Number:
AG002BMC
Chemical Name:
Carbamic acid, N-[(2-nitrophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
198572-71-3
Molecular Formula:
C11H14N2O6S
Molecular Weight:
302.3037
MDL Number:
MFCD06796217
IUPAC Name:
tert-butyl N-(2-nitrophenyl)sulfonylcarbamate
InChI:
InChI=1S/C11H14N2O6S/c1-11(2,3)19-10(14)12-20(17,18)9-7-5-4-6-8(9)13(15)16/h4-7H,1-3H3,(H,12,14)
InChI Key:
WAYBGHIVTXTUCZ-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.301g/mol
Monoisotopic Mass:
302.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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