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Home > Nitro Compounds > 3156-39-6
3156-39-6 | 1-Nitro-2-(2-nitrovinyl);benzene
CAS No: 3156-39-6 Catalog No: AG003O5V MDL No:MFCD00052066
Product Description
Catalog Number:
AG003O5V
Chemical Name:
1-Nitro-2-(2-nitrovinyl);benzene
CAS Number:
3156-39-6
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
MDL Number:
MFCD00052066
IUPAC Name:
1-nitro-2-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C8H6N2O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H/b6-5+
InChI Key:
INIQBBVYBCGEIX-AATRIKPKSA-N
SMILES:
[O-][N+](=O)/C=C/c1ccccc1[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
194.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.146g/mol
Monoisotopic Mass:
194.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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