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Home > Nitro Compounds > 152586-96-4
152586-96-4 | N-(2,5-Dimethoxyphenyl)-3,5-dinitrobenzamide
CAS No: 152586-96-4 Catalog No: AG00HY2D MDL No:
Product Description
Catalog Number:
AG00HY2D
Chemical Name:
N-(2,5-Dimethoxyphenyl)-3,5-dinitrobenzamide
CAS Number:
152586-96-4
Molecular Formula:
C15H13N3O7
Molecular Weight:
347.2796
IUPAC Name:
N-(2,5-dimethoxyphenyl)-3,5-dinitrobenzamide
InChI:
InChI=1S/C15H13N3O7/c1-24-12-3-4-14(25-2)13(8-12)16-15(19)9-5-10(17(20)21)7-11(6-9)18(22)23/h3-8H,1-2H3,(H,16,19)
InChI Key:
LCOJCEQDSCAZCK-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.075g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.283g/mol
Monoisotopic Mass:
347.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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