Basic information
- CAS
4685-51-2- Standard SMILES
COc1cc(CCl)ccc1C- InChIKey
IZSJEIXMICBILL-UHFFFAOYSA-N- Molecular formula
- C9H11ClO
- Average molar mass
- 170.63 g/mol
- Monoisotopic mass
- 170.0498427
Names & identifiers
- Preferred name
- 3-Methoxy-4-methylbenzyl chloride
- IUPAC
- 4-(chloromethyl)-2-methoxy-1-methylbenzene
- English name
- 3-Methoxy-4-methylbenzyl chloride
- Molecular formula
- C9H11ClO
- Molecular weight
- 170.63604
Names & synonyms
3-methoxy-4-methylbenzyl chloride4685-51-24-(Chloromethyl)-2-methoxy-1-methylbenzeneSCHEMBL5366841IZSJEIXMICBILL-UHFFFAOYSA-NDTXSID301267175DB-294417
Database identifiers
- CAS
4685-51-2- PubChem CID
- 11615254
- DTXSID
DTXSID301267175
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Chemistry & industry
Suppliers4 total
上海卡恩医药科技有限公司021-34979681; 17701870669 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
苏州越恒医药科技有限公司15962211760 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
4 records
Compound notes
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