Basic information
- CAS
1261446-31-4- Standard SMILES
COc1cc(Br)cc(OC(F)F)c1- InChIKey
VJGVOSQVHYIDSL-UHFFFAOYSA-N- Molecular formula
- C8H7BrF2O2
- Average molar mass
- 253.04 g/mol
- Monoisotopic mass
- 251.95975
Names & identifiers
- Preferred name
- 3-Bromo-5-(difluoromethoxy)anisole
- IUPAC
- 1-bromo-3-(difluoromethoxy)-5-methoxybenzene
- English name
- 3-bromo-5-(difluoromethoxy)anisole
- Molecular formula
- C8H7BrF2O2
- Molecular weight
- 253.04
Names & synonyms
3-Bromo-5-(difluoromethoxy)anisole1261446-31-41-bromo-3-(difluoromethoxy)-5-methoxybenzeneSCHEMBL14788224VJGVOSQVHYIDSL-UHFFFAOYSA-NMFCD18390869DS-021540Benzene, 1-bromo-3-(difluoromethoxy)-5-methoxy-
Database identifiers
- CAS
1261446-31-4- PubChem CID
- 89447086
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 242.9 · 242.9±35.0 °C(Predicted)
- Density
- 1.534 · 1.534±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers9 total
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
安徽合诺生物科技有限公司18455579438
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
常州安赛普化工有限公司0519-86305871 13961213398 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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