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Home > Nitro Compounds > 88076-25-9
88076-25-9 | Naphthalene,methyldinitro- (9CI)
CAS No: 88076-25-9 Catalog No: AG004HPJ MDL No:
Product Description
Catalog Number:
AG004HPJ
Chemical Name:
Naphthalene,methyldinitro- (9CI)
CAS Number:
88076-25-9
Molecular Formula:
C11H8N2O4
Molecular Weight:
232.1922
IUPAC Name:
3-methyl-1,2-dinitronaphthalene
InChI:
InChI=1S/C11H8N2O4/c1-7-6-8-4-2-3-5-9(8)11(13(16)17)10(7)12(14)15/h2-6H,1H3
InChI Key:
TVEJTUDTMZMAAX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c([N+](=O)[O-])c(C)cc2c1cccc2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.195g/mol
Monoisotopic Mass:
232.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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