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199871-96-0 | Quinoline, 2-bromo-8-methoxy-
CAS No: 199871-96-0 Catalog No: AG002CF1 MDL No:MFCD16250294
Product Description
Catalog Number:
AG002CF1
Chemical Name:
Quinoline, 2-bromo-8-methoxy-
CAS Number:
199871-96-0
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD16250294
IUPAC Name:
2-bromo-8-methoxyquinoline
InChI:
InChI=1S/C10H8BrNO/c1-13-8-4-2-3-7-5-6-9(11)12-10(7)8/h2-6H,1H3
InChI Key:
OFGAJQZBICFUAC-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(Br)cc2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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