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Home > Nitro Compounds > 1777-49-7
1777-49-7 | Bicyclo[3.1.0]hexan-3-one, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 1777-49-7 Catalog No: AG0025H5 MDL No:
Product Description
Catalog Number:
AG0025H5
Chemical Name:
Bicyclo[3.1.0]hexan-3-one, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
1777-49-7
Molecular Formula:
C12H12N4O4
Molecular Weight:
276.2481
IUPAC Name:
N-(3-bicyclo[3.1.0]hexanylideneamino)-2,4-dinitroaniline
InChI:
InChI=1S/C12H12N4O4/c17-15(18)10-1-2-11(12(6-10)16(19)20)14-13-9-4-7-3-8(7)5-9/h1-2,6-8,14H,3-5H2
InChI Key:
VVAZOAYCUWKMRB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NN=C1CC2C(C1)C2)[N+](=O)[O-]
NSC Number:
134972
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.252g/mol
Monoisotopic Mass:
276.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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