200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 923752-41-4
923752-41-4 | 8-nitro-5-(piperazin-1-yl)isoquinoline
CAS No: 923752-41-4 Catalog No: AG019K4H MDL No:MFCD08444391
Product Description
Catalog Number:
AG019K4H
Chemical Name:
8-nitro-5-(piperazin-1-yl)isoquinoline
CAS Number:
923752-41-4
Molecular Formula:
C13H14N4O2
Molecular Weight:
258.2759
MDL Number:
MFCD08444391
IUPAC Name:
8-nitro-5-piperazin-1-ylisoquinoline
InChI:
InChI=1S/C13H14N4O2/c18-17(19)13-2-1-12(16-7-5-14-6-8-16)10-3-4-15-9-11(10)13/h1-4,9,14H,5-8H2
InChI Key:
ZTHVAURBKDIDJU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cncc2)N1CCNCC1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.281g/mol
Monoisotopic Mass:
258.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.