Home Carboxys 7,8-Difluoro-4-hydroxyquinoline-3-carboxylic acid

7,8-Difluoro-4-hydroxyquinoline-3-carboxylic acid

CAS No.:
228728-17-4
Catalog Number:
AG00BI0K
Molecular Formula:
C10H5F2NO3
Molecular Weight:
225.1484
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Product Description
Catalog Number:
AG00BI0K
Chemical Name:
7,8-Difluoro-4-hydroxyquinoline-3-carboxylic acid
CAS Number:
228728-17-4
Molecular Formula:
C10H5F2NO3
Molecular Weight:
225.1484
MDL Number:
MFCD12674972
IUPAC Name:
7,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C10H5F2NO3/c11-6-2-1-4-8(7(6)12)13-3-5(9(4)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChI Key:
NGWHDXXMYRPDOB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1O)ccc(c2F)F
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.024g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.151g/mol
Monoisotopic Mass:
225.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties