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Home > Nitro Compounds > 70001-47-7
70001-47-7 | N-Butyl-3-nitrobenzamide
CAS No: 70001-47-7 Catalog No: AG005GKU MDL No:MFCD00458983
Product Description
Catalog Number:
AG005GKU
Chemical Name:
N-Butyl-3-nitrobenzamide
CAS Number:
70001-47-7
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD00458983
IUPAC Name:
N-butyl-3-nitrobenzamide
InChI:
InChI=1S/C11H14N2O3/c1-2-3-7-12-11(14)9-5-4-6-10(8-9)13(15)16/h4-6,8H,2-3,7H2,1H3,(H,12,14)
InChI Key:
PLKPLRMLCSBJKV-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1cccc(c1)[N+](=O)[O-]
NSC Number:
406579
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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