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1201-07-6 | Quinoline, 8-bromo-4-chloro-2-methyl-
CAS No: 1201-07-6 Catalog No: AG000QBA MDL No:MFCD00272432
Product Description
Catalog Number:
AG000QBA
Chemical Name:
Quinoline, 8-bromo-4-chloro-2-methyl-
CAS Number:
1201-07-6
Molecular Formula:
C10H7BrClN
Molecular Weight:
256.5263
MDL Number:
MFCD00272432
IUPAC Name:
8-bromo-4-chloro-2-methylquinoline
InChI:
InChI=1S/C10H7BrClN/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3
InChI Key:
SDVHWORPDUOWDV-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)c2c(n1)c(Br)ccc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.945g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.527g/mol
Monoisotopic Mass:
254.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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