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130987-63-2 | 4-Quinolinecarboxylic acid, 2-(2-bromophenyl)-
CAS No: 130987-63-2 Catalog No: AG000V7H MDL No:
Product Description
Catalog Number:
AG000V7H
Chemical Name:
4-Quinolinecarboxylic acid, 2-(2-bromophenyl)-
CAS Number:
130987-63-2
Molecular Formula:
C16H10BrNO2
Molecular Weight:
328.1601
IUPAC Name:
2-(2-bromophenyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C16H10BrNO2/c17-13-7-3-1-6-11(13)15-9-12(16(19)20)10-5-2-4-8-14(10)18-15/h1-9H,(H,19,20)
InChI Key:
HYZHYKDLSCJRMM-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1nc2ccccc2c(c1)C(=O)O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.989g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.165g/mol
Monoisotopic Mass:
326.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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