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128831-20-9 | 3-Quinolinecarboxylic acid, 6-chloro-4-phenyl-
CAS No: 128831-20-9 Catalog No: AG000YF8 MDL No:
Product Description
Catalog Number:
AG000YF8
Chemical Name:
3-Quinolinecarboxylic acid, 6-chloro-4-phenyl-
CAS Number:
128831-20-9
Molecular Formula:
C16H10ClNO2
Molecular Weight:
283.7091
IUPAC Name:
6-chloro-4-phenylquinoline-3-carboxylic acid
InChI:
InChI=1S/C16H10ClNO2/c17-11-6-7-14-12(8-11)15(10-4-2-1-3-5-10)13(9-18-14)16(19)20/h1-9H,(H,19,20)
InChI Key:
YRGBWBCRNZJZTK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(c1ccccc1)c(cn2)C(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.04g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.711g/mol
Monoisotopic Mass:
283.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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