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115813-22-4 | 8-Quinolinecarboxylic acid, 3-bromo-7-chloro-
CAS No: 115813-22-4 Catalog No: AG000GVW MDL No:
Product Description
Catalog Number:
AG000GVW
Chemical Name:
8-Quinolinecarboxylic acid, 3-bromo-7-chloro-
CAS Number:
115813-22-4
Molecular Formula:
C10H5BrClNO2
Molecular Weight:
286.5092
IUPAC Name:
3-bromo-7-chloroquinoline-8-carboxylic acid
InChI:
InChI=1S/C10H5BrClNO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)
InChI Key:
NRDOVDIATCHYTO-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(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:
284.919g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.509g/mol
Monoisotopic Mass:
284.919g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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