一键配货
简介
7-Chloro-2,8-dimethylquinoline-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
948290-22-0
分子式
-
分子量
-
更新日期
2026-07-06
技术文档
「暂无技术文档」
相关文章
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Structures
SMILES
CC1=C(C=CC2=CC(=C(N=C12)C)C(=O)O)Cl
2D Structure
https://labdr.oss-cn-shenzhen.aliyuncs.com/casimg/C9/948290-22-0.svg
3D Conformer
https://labdr.oss-cn-shenzhen.aliyuncs.com/mol3/9/948290-22-0.sdf
Title and Summary
Molecular Weight
235.66
Standard molecular formula
C12H10ClNO2
Names and Identifiers
IUPAC Name
7-chloro-2,8-dimethylquinoline-3-carboxylic acid
Other Identifiers
CAS
948290-22-0
PubChem CID
17040025
Computed Descriptors
Descriptor.InChI
1S/C12H10ClNO2/c1-6-10(13)4-3-8-5-9(12(15)16)7(2)14-11(6)8/h3-5H,1-2H3,(H,15,16)
Descriptor.InChIKey
XXJOAECAXTVYHG-UHFFFAOYSA-N
Chemical and Physical Properties
Computed Properties
Property Table.XLogP
3.1
Property Table.Complexity
284
Property Table.Exact Mass
235.0400063
Property Table.Formal Charge
0
Property Table.Heavy Atom Count
16
Property Table.Monoisotopic Mass
235.0400063
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
