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103028-31-5 | 4-Bromo-8-methoxyquinoline
CAS No: 103028-31-5 Catalog No: AG003KZA MDL No:MFCD08063209
Product Description
Catalog Number:
AG003KZA
Chemical Name:
4-Bromo-8-methoxyquinoline
CAS Number:
103028-31-5
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD08063209
IUPAC Name:
4-bromo-8-methoxyquinoline
InChI:
InChI=1S/C10H8BrNO/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3
InChI Key:
ZTCUNVSNCQDTQR-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nccc2Br
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:
2.5
Literature
| Title | Journal |
|---|---|
| 4-Bromo-8-methoxy-quinoline. | Acta crystallographica. Section E, Structure reports online 20080601 |
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