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3033-82-7 | Quinoline, 8-chloro-2-methyl-
CAS No: 3033-82-7 Catalog No: AG002ZRW MDL No:MFCD00051764
Product Description
Catalog Number:
AG002ZRW
Chemical Name:
Quinoline, 8-chloro-2-methyl-
CAS Number:
3033-82-7
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
MDL Number:
MFCD00051764
IUPAC Name:
8-chloro-2-methylquinoline
InChI:
InChI=1S/C10H8ClN/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,1H3
InChI Key:
VVLYDFPOGMTMFJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(Cl)ccc2
NSC Number:
4982
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.631g/mol
Monoisotopic Mass:
177.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| N-[(2-Chloro-3-quinol-yl)meth-yl]-4-fluoro-aniline. | Acta crystallographica. Section E, Structure reports online 20101001 |
| 8-Chloro-2-methyl-quinoline. | Acta crystallographica. Section E, Structure reports online 20090701 |
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