Basic information
- CAS
101233-58-3- Standard SMILES
COC(=O)C(C)(C)c1cccc(Cl)c1- InChIKey
CVIXMPKCWWZAMS-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.0604073
Names & identifiers
- Preferred name
- Methyl 2-(3-chlorophenyl)-2-methylpropanoate
- IUPAC
- methyl 2-(3-chlorophenyl)-2-methylpropanoate
- English name
- methyl 2-(3-chlorophenyl)-2-methylpropanoate
- Molecular formula
- C11H13ClO2
- Molecular weight
- 212.67272
Names & synonyms
METHYL 2-(3-CHLOROPHENYL)-2-METHYLPROPANOATE101233-58-3MFCD22574070Benzeneacetic acid, 3-chloro-a,a-dimethyl-, methyl esterSCHEMBL11017565DTXSID90548269AKOS008284659SY242546CS-0159426methyl 2-(3-chlorophenyl)-2-methyl-propanoateF304004METHYL2-(3-CHLOROPHENYL)-2-METHYLPROPANOATE
Show more names
Benzeneacetic acid, 3-chloro-α,α-dimethyl-, methyl ester
Database identifiers
- CAS
101233-58-3- PubChem CID
- 13745271
- DTXSID
DTXSID90548269- Nikkaji
- J1.824.144G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 253.9 · 253.9±15.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
Chemistry & industry
Suppliers10 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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