200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 20919-99-7
20919-99-7 | Pentane, 1,1,1,3,5,5,5-heptanitro-
CAS No: 20919-99-7 Catalog No: AG002K3J MDL No:
Product Description
Catalog Number:
AG002K3J
Chemical Name:
Pentane, 1,1,1,3,5,5,5-heptanitro-
CAS Number:
20919-99-7
Molecular Formula:
C5H5N7O14
Molecular Weight:
387.1317
IUPAC Name:
1,1,1,3,5,5,5-heptanitropentane
InChI:
InChI=1S/C5H5N7O14/c13-6(14)3(1-4(7(15)16,8(17)18)9(19)20)2-5(10(21)22,11(23)24)12(25)26/h3H,1-2H2
InChI Key:
QCCFVJPIRFTNPO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.989g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.13g/mol
Monoisotopic Mass:
386.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
321A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.