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26590-17-0 | Benzene, (dinitroethyl)- (8CI,9CI)
CAS No: 26590-17-0 Catalog No: AG002TS8 MDL No:
Product Description
Catalog Number:
AG002TS8
Chemical Name:
Benzene, (dinitroethyl)- (8CI,9CI)
CAS Number:
26590-17-0
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
IUPAC Name:
2,2-dinitroethylbenzene
InChI:
InChI=1S/C8H8N2O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key:
PQSWCVYWEGIBPY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C([N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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