Basic information
- CAS
2898-63-7- Standard SMILES
COc1cc(Cl)c(CC(=O)O)cc1OC- InChIKey
WKPCQKQQARFCBD-UHFFFAOYSA-N- Molecular formula
- C10H11ClO4
- Average molar mass
- 230.64 g/mol
- Monoisotopic mass
- 230.0345865
Names & identifiers
- Preferred name
- 2-(2-Chloro-4,5-dimethoxyphenyl)acetic acid
- IUPAC
- 2-(2-chloro-4,5-dimethoxyphenyl)acetic acid
- English name
- (2-Chloro-4,5-dimethoxy-phenyl)-acetic acid
- Molecular formula
- C10H11ClO4
- Molecular weight
- 230.64494
Names & synonyms
2898-63-72-(2-chloro-4,5-dimethoxyphenyl)acetic acid(2-chloro-4,5-dimethoxyphenyl)acetic acidBenzeneacetic acid,2-chloro-4,5-dimethoxy-2-Chloro-4,5-dimethoxyphenylacetic acidBenzeneacetic acid, 2-chloro-4,5-dimethoxy-NSC129821SCHEMBL3323483DTXSID10951594MFCD26594000AKOS022521915NSC-129821
Show more names
(2-Chloro-4,5-dimethoxy-phenyl)-acetic acid
Database identifiers
- CAS
2898-63-7- PubChem CID
- 279348
- DTXSID
DTXSID10951594
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Alcohols, Dichloromethane
- form
- Solid
- color
- Light Brown
Chemistry & industry
Applications
Uses2-Chloro-4,5-dimethoxyphenylacetic Acid is an intermediate in the synthesis of 6’-Chloro-norlaudanosoline Hydrobromide (C374750), which is a derivative of Norlaudanosoline (N661425), a key intermediate on the biosynthetic pathway to morphinan and benzylisoquinoline alkaloids.
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海兰科化学有限公司021-61916491 15921747686 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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