200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1787-27-5
1787-27-5 | Naphthalene, compd. with 1,3,5-trinitrobenzene (1:1)
CAS No: 1787-27-5 Catalog No: AG00269A MDL No:
Product Description
Catalog Number:
AG00269A
Chemical Name:
Naphthalene, compd. with 1,3,5-trinitrobenzene (1:1)
CAS Number:
1787-27-5
Molecular Formula:
C16H11N3O6
Molecular Weight:
341.2750
IUPAC Name:
naphthalene;1,3,5-trinitrobenzene
InChI:
InChI=1S/C10H8.C6H3N3O6/c1-2-6-10-8-4-3-7-9(10)5-1;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-8H;1-3H
InChI Key:
LSDFFJYZGMHCEG-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cccc2.[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
57702
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.065g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.279g/mol
Monoisotopic Mass:
341.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.