Cas no 905807-64-9 (METHYL 4-CHLORO-6,8-DIMETHYL-QUINOLINE-2-CARBOXYLATE)
905807-64-9 structure
Product Name:METHYL 4-CHLORO-6,8-DIMETHYL-QUINOLINE-2-CARBOXYLATE
CAS No:905807-64-9
MF:C13H12ClNO2
MW:249.692882537842
CID:994959
PubChem ID:29923270
Update Time:2025-04-20
METHYL 4-CHLORO-6,8-DIMETHYL-QUINOLINE-2-CARBOXYLATE Chemical and Physical Properties
Names and Identifiers
-
- METHYL 4-CHLORO-6,8-DIMETHYL-QUINOLINE-2-CARBOXYLATE
- 2-Quinolinecarboxylic acid, 4-chloro-6,8-dimethyl-, methyl ester
- 905807-64-9
- AKOS012682339
-
- Inchi： 1S/C13H12ClNO2/c1-7-4-8(2)12-9(5-7)10(14)6-11(15-12)13(16)17-3/h4-6H,1-3H3
- InChI Key： OERWKPNZDNNBOR-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)OC)N=C2C(C)=CC(C)=CC2=1
Computed Properties
- Exact Mass: 249.05600
- Monoisotopic Mass: 249.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 297
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19000
- LogP: 3.29160
METHYL 4-CHLORO-6,8-DIMETHYL-QUINOLINE-2-CARBOXYLATE Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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