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2364-46-7 | Naphthalene, 1,3,8-trinitro-
CAS No: 2364-46-7 Catalog No: AG002O05 MDL No:
Product Description
Catalog Number:
AG002O05
Chemical Name:
Naphthalene, 1,3,8-trinitro-
CAS Number:
2364-46-7
Molecular Formula:
C10H5N3O6
Molecular Weight:
263.1632
IUPAC Name:
1,3,8-trinitronaphthalene
InChI:
InChI=1S/C10H5N3O6/c14-11(15)7-4-6-2-1-3-8(12(16)17)10(6)9(5-7)13(18)19/h1-5H
InChI Key:
BEKZHETVNVFYCV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cccc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
27011
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:
2.3
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