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Home > Nitro Compounds > 2535-68-4
2535-68-4 | 5-METHYL-2-NITROBENZENE-1-SULFONAMIDE
CAS No: 2535-68-4 Catalog No: AG01B38E MDL No:MFCD18399649
Product Description
Catalog Number:
AG01B38E
Chemical Name:
5-METHYL-2-NITROBENZENE-1-SULFONAMIDE
CAS Number:
2535-68-4
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
MDL Number:
MFCD18399649
IUPAC Name:
5-methyl-2-nitrobenzenesulfonamide
InChI:
InChI=1S/C7H8N2O4S/c1-5-2-3-6(9(10)11)7(4-5)14(8,12)13/h2-4H,1H3,(H2,8,12,13)
InChI Key:
YCUWFBJSKVGMSN-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)N)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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