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Home > Nitro Compounds > 2447-76-9
2447-76-9 | Benzoic acid, 4-nitro-, 2-(2-ethylbutylidene)hydrazide
CAS No: 2447-76-9 Catalog No: AG002O8U MDL No:
Product Description
Catalog Number:
AG002O8U
Chemical Name:
Benzoic acid, 4-nitro-, 2-(2-ethylbutylidene)hydrazide
CAS Number:
2447-76-9
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
IUPAC Name:
N-(2-ethylbutylideneamino)-4-nitrobenzamide
InChI:
InChI=1S/C13H17N3O3/c1-3-10(4-2)9-14-15-13(17)11-5-7-12(8-6-11)16(18)19/h5-10H,3-4H2,1-2H3,(H,15,17)
InChI Key:
VSKNYMJHMKXCLE-UHFFFAOYSA-N
SMILES:
CCC(C=NNC(=O)c1ccc(cc1)[N+](=O)[O-])CC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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