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1588441-16-0 | 3-Quinolinecarboxylic acid, 8-bromo-, hydrate (1:1)
CAS No: 1588441-16-0 Catalog No: AG001QXQ MDL No:MFCD26743664
Product Description
Catalog Number:
AG001QXQ
Chemical Name:
3-Quinolinecarboxylic acid, 8-bromo-, hydrate (1:1)
CAS Number:
1588441-16-0
Molecular Formula:
C10H8BrNO3
Molecular Weight:
270.0794
MDL Number:
MFCD26743664
IUPAC Name:
8-bromoquinoline-3-carboxylic acid;hydrate
InChI:
InChI=1S/C10H6BrNO2.H2O/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8;/h1-5H,(H,13,14);1H2
InChI Key:
BPHSKRGVFUAODQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)cccc2Br.O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.969g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.082g/mol
Monoisotopic Mass:
268.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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