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Home > Nitro Compounds > 439928-67-3
439928-67-3 | N-(4-methylpyrimidin-2-yl)-4-nitrobenzene-1-sulfonamide
CAS No: 439928-67-3 Catalog No: AG01B9WD MDL No:MFCD02930745
Product Description
Catalog Number:
AG01B9WD
Chemical Name:
N-(4-methylpyrimidin-2-yl)-4-nitrobenzene-1-sulfonamide
CAS Number:
439928-67-3
Molecular Formula:
C11H10N4O4S
Molecular Weight:
294.2865
MDL Number:
MFCD02930745
IUPAC Name:
N-(4-methylpyrimidin-2-yl)-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C11H10N4O4S/c1-8-6-7-12-11(13-8)14-20(18,19)10-4-2-9(3-5-10)15(16)17/h2-7H,1H3,(H,12,13,14)
InChI Key:
GDPNLPBBDUFJTI-UHFFFAOYSA-N
SMILES:
Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.042g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.285g/mol
Monoisotopic Mass:
294.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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