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115813-23-5

115813-23-5 | 8-Quinolinecarboxylic acid, 7-chloro-3-fluoro-

CAS No: 115813-23-5 Catalog No: AG000GVV MDL No:

Product Description

Catalog Number:
AG000GVV
Chemical Name:
8-Quinolinecarboxylic acid, 7-chloro-3-fluoro-
CAS Number:
115813-23-5
Molecular Formula:
C10H5ClFNO2
Molecular Weight:
225.6036
IUPAC Name:
7-chloro-3-fluoroquinoline-8-carboxylic acid
InChI:
InChI=1S/C10H5ClFNO2/c11-7-2-1-5-3-6(12)4-13-9(5)8(7)10(14)15/h1-4H,(H,14,15)
InChI Key:
MINHNMAOTBJHKM-UHFFFAOYSA-N
SMILES:
Fc1cnc2c(c1)ccc(c2C(=O)O)Cl

Properties

Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.999g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.603g/mol
Monoisotopic Mass:
224.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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