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87185-24-8

87185-24-8 | 1,6,7-trinitronaphthalene

CAS No: 87185-24-8 Catalog No: AG004K1W MDL No:

Product Description

Catalog Number:
AG004K1W
Chemical Name:
1,6,7-trinitronaphthalene
CAS Number:
87185-24-8
Molecular Formula:
C10H5N3O6
Molecular Weight:
263.1632
IUPAC Name:
1,6,7-trinitronaphthalene
InChI:
InChI=1S/C10H5N3O6/c14-11(15)8-3-1-2-6-4-9(12(16)17)10(13(18)19)5-7(6)8/h1-5H
InChI Key:
ULFPAUMLKAKADU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-]

Properties

Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.018g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.165g/mol
Monoisotopic Mass:
263.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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