一键配货
简介
4-Chloro-2-[(methylamino)methyl]phenol
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
38926-77-1
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
CNCC1=C(C=CC(=C1)Cl)O
2D Structure
https://labdr.oss-cn-shenzhen.aliyuncs.com/casimg/C3/38926-77-1.svg
3D Conformer
https://labdr.oss-cn-shenzhen.aliyuncs.com/mol3/3/38926-77-1.sdf
Title and Summary
Molecular Weight
171.62
Standard molecular formula
C8H10ClNO
Names and Identifiers
IUPAC Name
4-chloro-2-(methylaminomethyl)phenol
Other Identifiers
CAS
38926-77-1
PubChem CID
16772020
Computed Descriptors
Descriptor.InChI
1S/C8H10ClNO/c1-10-5-6-4-7(9)2-3-8(6)11/h2-4,10-11H,5H2,1H3
Descriptor.InChIKey
YABHGYPDBKOQOO-UHFFFAOYSA-N
Chemical and Physical Properties
Computed Properties
Property Table.XLogP
1.7
Property Table.Complexity
121
Property Table.Exact Mass
171.0450916
Property Table.Formal Charge
0
Property Table.Heavy Atom Count
11
Property Table.Monoisotopic Mass
171.0450916
Property Table.Isotope Atom Count
0
Property Table.Rotatable Bond Count
2
Property Table.Hydrogen Bond Donor Count
2
Property Table.Covalently-Bonded Unit Count
1
Property Table.Hydrogen Bond Acceptor Count
2
Property Table.Topological Polar Surface Area
32.3
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
