200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 6945-81-9
6945-81-9 | Benzene,1,3-dinitro-2-(3-nitrophenoxy)-
CAS No: 6945-81-9 Catalog No: AG005LUY MDL No:
Product Description
Catalog Number:
AG005LUY
Chemical Name:
Benzene,1,3-dinitro-2-(3-nitrophenoxy)-
CAS Number:
6945-81-9
Molecular Formula:
C12H7N3O7
Molecular Weight:
305.1999
IUPAC Name:
1,3-dinitro-2-(3-nitrophenoxy)benzene
InChI:
InChI=1S/C12H7N3O7/c16-13(17)8-3-1-4-9(7-8)22-12-10(14(18)19)5-2-6-11(12)15(20)21/h1-7H
InChI Key:
NZSFSIIPYKWUNS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
52577
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.202g/mol
Monoisotopic Mass:
305.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.