| CAS Number | 954236-08-9 |
| Catalog Number | AG00J3FE(AGN-PC-0W51H0) |
| Chemical Name | 1-Bromo-2-(difluoromethoxy)-3-methylbenzene |
| IUPAC Name | 1-bromo-2-(difluoromethoxy)-3-methylbenzene |
| InChI | InChI=1S/C8H7BrF2O/c1-5-3-2-4-6(9)7(5)12-8(10)11/h2-4,8H,1H3 |
| InChI Key | KPVIEIAMOJUJED-UHFFFAOYSA-N |
| MDL Number | MFCD11036075 |
| Molecular Formula | C8H7BrF2O |
| Molecular Weight | 237.0414 |
| SMILES | C1(C(C)=CC=CC=1Br)OC(F)F |
| Synonyms | 954236-08-9,
1-BROMO-2-DIFLUOROMETHOXY-3-METHYL-BENZENE,
1-bromo-2-(difluoromethoxy)-3-methylbenzene,
SCHEMBL5733263,
CTK5H7738,
DTXSID20669673,
KPVIEIAMOJUJED-UHFFFAOYSA-N,
3-Bromo-2-(difluoromethoxy)toluene,
MFCD11036075,
ZINC39325881,
AKOS015969259,
1-bromo-methyl-2-difluoromethoxy-benzene,
AS-48121,
1-Bromo-2-difluoromethoxy-3-methylbenzene,
1-Bromo-2-difluoromethoxy-3-methyl benzene,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.044g/mol |
| Monoisotopic Mass | 235.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number