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Home > Nitro Compounds > 895-47-6
895-47-6 | Benzene, 1-[2-(1-cyclohexen-1-yl)-2-nitroethenyl]-3-nitro-
CAS No: 895-47-6 Catalog No: AG003ZQX MDL No:
Product Description
Catalog Number:
AG003ZQX
Chemical Name:
Benzene, 1-[2-(1-cyclohexen-1-yl)-2-nitroethenyl]-3-nitro-
CAS Number:
895-47-6
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
1-[2-(cyclohexen-1-yl)-2-nitroethenyl]-3-nitrobenzene
InChI:
InChI=1S/C14H14N2O4/c17-15(18)13-8-4-5-11(9-13)10-14(16(19)20)12-6-2-1-3-7-12/h4-6,8-10H,1-3,7H2
InChI Key:
AHPIRXDHFOHHDN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=Cc1cccc(c1)[N+](=O)[O-])C1=CCCCC1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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