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57876-69-4 | 2-Chloro-3-methylquinoline
CAS No: 57876-69-4 Catalog No: AG003719 MDL No:MFCD00100265
Product Description
Catalog Number:
AG003719
Chemical Name:
2-Chloro-3-methylquinoline
CAS Number:
57876-69-4
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
MDL Number:
MFCD00100265
IUPAC Name:
2-chloro-3-methylquinoline
InChI:
InChI=1S/C10H8ClN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
InChI Key:
UMYPPRQNLXTIEQ-UHFFFAOYSA-N
SMILES:
Cc1cc2ccccc2nc1Cl
NSC Number:
364026
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:
3.5
Literature
| Title | Journal |
|---|---|
| 1-[(2-Chloro-3-quinol-yl)meth-yl]indoline-2,3-dione. | Acta crystallographica. Section E, Structure reports online 20100501 |
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