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1781044-00-5 | 6-Quinolinecarboxylic acid, 2-bromo-
CAS No: 1781044-00-5 Catalog No: AG0025RK MDL No:
Product Description
Catalog Number:
AG0025RK
Chemical Name:
6-Quinolinecarboxylic acid, 2-bromo-
CAS Number:
1781044-00-5
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
IUPAC Name:
2-bromoquinoline-6-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2/c11-9-4-2-6-5-7(10(13)14)1-3-8(6)12-9/h1-5H,(H,13,14)
InChI Key:
IPCCYCRPAKUXEA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(n1)ccc(c2)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.067g/mol
Monoisotopic Mass:
250.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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