一键配货
简介
6-(4-Chlorophenoxy)nicotinonitrile
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
99902-70-2
分子式
-
分子量
-
更新日期
2026-07-06
技术文档
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相关文章
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Structures
SMILES
C1=CC(=CC=C1OC2=NC=C(C=C2)C#N)Cl
2D Structure
https://labdr.oss-cn-shenzhen.aliyuncs.com/casimg/C9/99902-70-2.svg
3D Conformer
https://labdr.oss-cn-shenzhen.aliyuncs.com/mol3/9/99902-70-2.sdf
Title and Summary
Molecular Weight
230.65
Standard molecular formula
C12H7ClN2O
Names and Identifiers
IUPAC Name
6-(4-chlorophenoxy)pyridine-3-carbonitrile
Other Identifiers
CAS
99902-70-2
PubChem CID
514826
Computed Descriptors
Descriptor.InChI
1S/C12H7ClN2O/c13-10-2-4-11(5-3-10)16-12-6-1-9(7-14)8-15-12/h1-6,8H
Descriptor.InChIKey
DAHIOIPBXNVSIW-UHFFFAOYSA-N
Chemical and Physical Properties
Computed Properties
Property Table.XLogP
3.1
Property Table.Complexity
267
Property Table.Exact Mass
230.0246905
Property Table.Formal Charge
0
Property Table.Heavy Atom Count
16
Property Table.Monoisotopic Mass
230.0246905
Property Table.Isotope Atom Count
0
Property Table.Rotatable Bond Count
2
Property Table.Hydrogen Bond Donor Count
0
Property Table.Covalently-Bonded Unit Count
1
Property Table.Hydrogen Bond Acceptor Count
3
Property Table.Topological Polar Surface Area
45.9
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
