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Home > Bromides > 1022091-93-5
1022091-93-5 | 6-Quinolineacetic acid, 3-bromo-
CAS No: 1022091-93-5 Catalog No: AG0006X4 MDL No:MFCD17215805
Product Description
Catalog Number:
AG0006X4
Chemical Name:
6-Quinolineacetic acid, 3-bromo-
CAS Number:
1022091-93-5
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
MDL Number:
MFCD17215805
IUPAC Name:
2-(3-bromoquinolin-6-yl)acetic acid
InChI:
InChI=1S/C11H8BrNO2/c12-9-5-8-3-7(4-11(14)15)1-2-10(8)13-6-9/h1-3,5-6H,4H2,(H,14,15)
InChI Key:
PQGUOWWMXHPEKE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)cc(cn2)Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.094g/mol
Monoisotopic Mass:
264.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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