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204782-96-7 | 5-Quinolinecarboxylic acid, 8-bromo-
CAS No: 204782-96-7 Catalog No: AG0029P8 MDL No:MFCD12963555
Product Description
Catalog Number:
AG0029P8
Chemical Name:
5-Quinolinecarboxylic acid, 8-bromo-
CAS Number:
204782-96-7
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD12963555
IUPAC Name:
8-bromoquinoline-5-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2/c11-8-4-3-7(10(13)14)6-2-1-5-12-9(6)8/h1-5H,(H,13,14)
InChI Key:
PPJDILQBGRMTFE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1cccn2)Br
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:
2.4
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