200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 101605-92-9
101605-92-9 | Ethanone, 1-(1-naphthalenyl)-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 101605-92-9 Catalog No: AG0004YN MDL No:
Product Description
Catalog Number:
AG0004YN
Chemical Name:
Ethanone, 1-(1-naphthalenyl)-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
101605-92-9
Molecular Formula:
C18H13N3O8
Molecular Weight:
399.3111
IUPAC Name:
1-naphthalen-1-ylethanone;2,4,6-trinitrophenol
InChI:
InChI=1S/C12H10O.C6H3N3O7/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-8H,1H3;1-2,10H
InChI Key:
ZRZQFTBOEDOLET-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1cccc2.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.07g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.315g/mol
Monoisotopic Mass:
399.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.