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Home > Nitro Compounds > 313551-95-0
313551-95-0 | N-[5-(5,7-Dimethyl-benzooxazol-2-yl)-2-methyl-phenyl]-2,4-dinitro-benzamide
CAS No: 313551-95-0 Catalog No: AG01F2DM MDL No:MFCD00660279
Product Description
Catalog Number:
AG01F2DM
Chemical Name:
N-[5-(5,7-Dimethyl-benzooxazol-2-yl)-2-methyl-phenyl]-2,4-dinitro-benzamide
CAS Number:
313551-95-0
Molecular Formula:
C23H18N4O6
Molecular Weight:
446.4122
MDL Number:
MFCD00660279
IUPAC Name:
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,4-dinitrobenzamide
InChI:
InChI=1S/C23H18N4O6/c1-12-8-14(3)21-19(9-12)25-23(33-21)15-5-4-13(2)18(10-15)24-22(28)17-7-6-16(26(29)30)11-20(17)27(31)32/h4-11H,1-3H3,(H,24,28)
InChI Key:
VNTLZEYAKUBAFE-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)nc(o2)c1ccc(c(c1)NC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
754
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.123g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
446.419g/mol
Monoisotopic Mass:
446.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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