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Home > Nitro Compounds > 245365-64-4
245365-64-4 | Carbamic acid, N-[(2-nitrophenyl)sulfonyl]-, phenylmethyl ester
CAS No: 245365-64-4 Catalog No: AG002OGL MDL No:MFCD06797080
Product Description
Catalog Number:
AG002OGL
Chemical Name:
Carbamic acid, N-[(2-nitrophenyl)sulfonyl]-, phenylmethyl ester
CAS Number:
245365-64-4
Molecular Formula:
C14H12N2O6S
Molecular Weight:
336.3199
MDL Number:
MFCD06797080
IUPAC Name:
benzyl N-(2-nitrophenyl)sulfonylcarbamate
InChI:
InChI=1S/C14H12N2O6S/c17-14(22-10-11-6-2-1-3-7-11)15-23(20,21)13-9-5-4-8-12(13)16(18)19/h1-9H,10H2,(H,15,17)
InChI Key:
BFQXFHUTPNBFSR-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.042g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.318g/mol
Monoisotopic Mass:
336.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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