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Home > Nitro Compounds > 2782-41-4
2782-41-4 | Benzamide, N-butyl-3,5-dinitro-
CAS No: 2782-41-4 Catalog No: AG002UUZ MDL No:
Product Description
Catalog Number:
AG002UUZ
Chemical Name:
Benzamide, N-butyl-3,5-dinitro-
CAS Number:
2782-41-4
Molecular Formula:
C11H13N3O5
Molecular Weight:
267.2380
IUPAC Name:
N-butyl-3,5-dinitrobenzamide
InChI:
InChI=1S/C11H13N3O5/c1-2-3-4-12-11(15)8-5-9(13(16)17)7-10(6-8)14(18)19/h5-7H,2-4H2,1H3,(H,12,15)
InChI Key:
FGIFCTOQWKVMBH-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
401979
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.241g/mol
Monoisotopic Mass:
267.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Charge-transfer interaction between poly(9-vinylcarbazole) and 3,5-dinitrobenzamido group or 3-nitrobenzamido group. | Langmuir : the ACS journal of surfaces and colloids 20100302 |
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