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870888-92-9 | Naphthalene, 5-chloro-1,3,8-trinitro-
CAS No: 870888-92-9 Catalog No: AG004P7P MDL No:
Product Description
Catalog Number:
AG004P7P
Chemical Name:
Naphthalene, 5-chloro-1,3,8-trinitro-
CAS Number:
870888-92-9
Molecular Formula:
C10H4ClN3O6
Molecular Weight:
297.6083
IUPAC Name:
5-chloro-1,3,8-trinitronaphthalene
InChI:
InChI=1S/C10H4ClN3O6/c11-7-1-2-8(13(17)18)10-6(7)3-5(12(15)16)4-9(10)14(19)20/h1-4H
InChI Key:
BXRNLIXDPNWWBU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(Cl)ccc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.979g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.607g/mol
Monoisotopic Mass:
296.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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