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Home > Nitro Compounds > 31089-35-7
31089-35-7 | Benzenesulfenamide, N-[bis(4-methylphenyl)methylene]-2,4-dinitro-
CAS No: 31089-35-7 Catalog No: AG003237 MDL No:
Product Description
Catalog Number:
AG003237
Chemical Name:
Benzenesulfenamide, N-[bis(4-methylphenyl)methylene]-2,4-dinitro-
CAS Number:
31089-35-7
Molecular Formula:
C21H17N3O4S
Molecular Weight:
407.4424
IUPAC Name:
N-(2,4-dinitrophenyl)sulfanyl-1,1-bis(4-methylphenyl)methanimine
InChI:
InChI=1S/C21H17N3O4S/c1-14-3-7-16(8-4-14)21(17-9-5-15(2)6-10-17)22-29-20-12-11-18(23(25)26)13-19(20)24(27)28/h3-13H,1-2H3
InChI Key:
XEEBZHUVWIXAES-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=NSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(cc1)C
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.094g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.444g/mol
Monoisotopic Mass:
407.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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