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205114-14-3 | 6-Quinolinecarboxylic acid, 3-bromo-
CAS No: 205114-14-3 Catalog No: AG0029VG MDL No:MFCD18086942
Product Description
Catalog Number:
AG0029VG
Chemical Name:
6-Quinolinecarboxylic acid, 3-bromo-
CAS Number:
205114-14-3
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD18086942
IUPAC Name:
3-bromoquinoline-6-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2/c11-8-4-7-3-6(10(13)14)1-2-9(7)12-5-8/h1-5H,(H,13,14)
InChI Key:
DKBPYVBSEJLPIR-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)cc(cc2)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:
2.8
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