200,000+ products from a single source!
sales@angenechem.com
114609-86-8 | 3-Cinnolinecarboxylic acid, 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-
CAS No: 114609-86-8 Catalog No: AG000ETZ MDL No:
Product Description
Catalog Number:
AG000ETZ
Chemical Name:
3-Cinnolinecarboxylic acid, 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-
CAS Number:
114609-86-8
Molecular Formula:
C11H7F3N2O3
Molecular Weight:
272.1801
IUPAC Name:
1-ethyl-6,7,8-trifluoro-4-oxocinnoline-3-carboxylic acid
InChI:
InChI=1S/C11H7F3N2O3/c1-2-16-9-4(3-5(12)6(13)7(9)14)10(17)8(15-16)11(18)19/h3H,2H2,1H3,(H,18,19)
InChI Key:
CZBUILNDSPEKKV-UHFFFAOYSA-N
SMILES:
CCn1nc(C(=O)O)c(=O)c2c1c(F)c(F)c(c2)F
Properties
Complexity:
443
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:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.