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Home > Nitro Compounds > 88076-27-1
88076-27-1 | 3-methyl-1,2-dinitrophenanthrene
CAS No: 88076-27-1 Catalog No: AG004HPI MDL No:
Product Description
Catalog Number:
AG004HPI
Chemical Name:
3-methyl-1,2-dinitrophenanthrene
CAS Number:
88076-27-1
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
IUPAC Name:
3-methyl-1,2-dinitrophenanthrene
InChI:
InChI=1S/C15H10N2O4/c1-9-8-13-11-5-3-2-4-10(11)6-7-12(13)15(17(20)21)14(9)16(18)19/h2-8H,1H3
InChI Key:
FCQZVJLVIODPKC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c([N+](=O)[O-])c(C)cc2c1ccc1c2cccc1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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