200,000+ products from a single source!
sales@angenechem.com
121694-45-9 | [1]Benzopyrano[4,3-c]pyrazol-3(2H)-one, 2-(4-chlorophenyl)-
CAS No: 121694-45-9 Catalog No: AG0015LF MDL No:
Product Description
Catalog Number:
AG0015LF
Chemical Name:
[1]Benzopyrano[4,3-c]pyrazol-3(2H)-one, 2-(4-chlorophenyl)-
CAS Number:
121694-45-9
Molecular Formula:
C16H9ClN2O2
Molecular Weight:
296.7079
IUPAC Name:
2-(4-chlorophenyl)chromeno[4,3-c]pyrazol-3-one
InChI:
InChI=1S/C16H9ClN2O2/c17-10-5-7-11(8-6-10)19-16(20)13-9-21-14-4-2-1-3-12(14)15(13)18-19/h1-9H
InChI Key:
CMPCOFOXHDRPSM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1nc2c(c1=O)coc1c2cccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.035g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.71g/mol
Monoisotopic Mass:
296.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.