200,000+ products from a single source!
sales@angenechem.com
114610-15-0 | 3-Cinnolinecarboxylic acid, 6,7,8-trifluoro-4-hydroxy-, ethyl ester
CAS No: 114610-15-0 Catalog No: AG000ETX MDL No:
Product Description
Catalog Number:
AG000ETX
Chemical Name:
3-Cinnolinecarboxylic acid, 6,7,8-trifluoro-4-hydroxy-, ethyl ester
CAS Number:
114610-15-0
Molecular Formula:
C11H7F3N2O3
Molecular Weight:
272.1801
IUPAC Name:
ethyl 6,7,8-trifluoro-4-oxo-1H-cinnoline-3-carboxylate
InChI:
InChI=1S/C11H7F3N2O3/c1-2-19-11(18)9-10(17)4-3-5(12)6(13)7(14)8(4)15-16-9/h3H,2H2,1H3,(H,15,17)
InChI Key:
GYNMRDSSVLAUJL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc2c(c1O)cc(c(c2F)F)F
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.183g/mol
Monoisotopic Mass:
272.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.