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Home > Nitro Compounds > 88076-28-2
88076-28-2 | 2,3-dinitro-1-phenylnaphthalene
CAS No: 88076-28-2 Catalog No: AG004ERH MDL No:
Product Description
Catalog Number:
AG004ERH
Chemical Name:
2,3-dinitro-1-phenylnaphthalene
CAS Number:
88076-28-2
Molecular Formula:
C16H10N2O4
Molecular Weight:
294.2616
IUPAC Name:
2,3-dinitro-1-phenylnaphthalene
InChI:
InChI=1S/C16H10N2O4/c19-17(20)14-10-12-8-4-5-9-13(12)15(16(14)18(21)22)11-6-2-1-3-7-11/h1-10H
InChI Key:
CGAFWMXGPKBSEB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(c2ccccc2)c2ccccc2cc1[N+](=O)[O-]
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.266g/mol
Monoisotopic Mass:
294.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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