一键配货
简介
6-Chloro-8-methylquinoline-3-carboxylic acid
基本信息
查看详细信息中文名称
-
英文名称
-
中文别名
-
英文别名
-
CAS号
948289-56-3
分子式
-
分子量
-
更新日期
2026-07-06
技术文档
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Structures
SMILES
CC1=CC(=CC2=CC(=CN=C12)C(=O)O)Cl
2D Structure
https://labdr.oss-cn-shenzhen.aliyuncs.com/casimg/C9/948289-56-3.svg
3D Conformer
https://labdr.oss-cn-shenzhen.aliyuncs.com/mol3/9/948289-56-3.sdf
Title and Summary
Molecular Weight
221.64
Standard molecular formula
C11H8ClNO2
Names and Identifiers
IUPAC Name
6-chloro-8-methylquinoline-3-carboxylic acid
Other Identifiers
CAS
948289-56-3
PubChem CID
17039996
Computed Descriptors
Descriptor.InChI
1S/C11H8ClNO2/c1-6-2-9(12)4-7-3-8(11(14)15)5-13-10(6)7/h2-5H,1H3,(H,14,15)
Descriptor.InChIKey
AZUBVKRZQUUAAX-UHFFFAOYSA-N
Chemical and Physical Properties
Computed Properties
Property Table.XLogP
2.7
Property Table.Complexity
259
Property Table.Exact Mass
221.0243562
Property Table.Formal Charge
0
Property Table.Heavy Atom Count
15
Property Table.Monoisotopic Mass
221.0243562
Property Table.Isotope Atom Count
0
Property Table.Rotatable Bond Count
1
Property Table.Hydrogen Bond Donor Count
1
Property Table.Covalently-Bonded Unit Count
1
Property Table.Hydrogen Bond Acceptor Count
3
Property Table.Topological Polar Surface Area
50.2
Property Table.Defined Atom Stereocenter Count
0
Property Table.Defined Bond Stereocenter Count
0
Property Table.Undefined Atom Stereocenter Count
0
Property Table.Undefined Bond Stereocenter Count
0
