Basic information
- CAS
1149388-20-4- Standard SMILES
COC(=O)c1ccc(Br)c(OC)c1C- InChIKey
DPPPRTUMXZNOTJ-UHFFFAOYSA-N- Molecular formula
- C10H11BrO3
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 257.98916
Names & identifiers
- Preferred name
- Methyl 4-bromo-3-methoxy-2-methylbenzoate
- IUPAC
- methyl 4-bromo-3-methoxy-2-methylbenzoate
- English name
- methyl 4-bromo-3-methoxy-2-methylbenzoate
- Molecular formula
- C10H11BrO3
- Molecular weight
- 259.1
Names & synonyms
methyl 4-bromo-3-methoxy-2-methylbenzoate1149388-20-4Benzoic acid, 4-bromo-3-methoxy-2-methyl-, methyl estermethyl 4-bromo-2-methyl-3-(methyloxy)benzoateSCHEMBL977363DPPPRTUMXZNOTJ-UHFFFAOYSA-NDTXSID901203751ZVB38820MFCD16658635methyl4-bromo-3-methoxy-2-methylbenzoateSY151453DB-370881
Show more names
4-Bromo-3-methoxy-2-methyl-benzoic acid methyl ester
methyl 4-bromo-3-methoxy-2-methyl-benzoateCS-0225564EN300-124293F647518
Database identifiers
- CAS
1149388-20-4- PubChem CID
- 57700263
- DTXSID
DTXSID901203751
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
安徽合诺生物科技有限公司0555-2761852
苏州亚衍医药科技有限公司17715136450 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
Related reactions
4 records
Compound notes
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