| CAS Number | 1022155-94-7 |
| Catalog Number | AG01C56H |
| Chemical Name | Methyl 2-(4-bromophenyl)-2,2-difluoroacetate |
| IUPAC Name | methyl 2-(4-bromophenyl)-2,2-difluoroacetate |
| InChI | InChI=1S/C9H7BrF2O2/c1-14-8(13)9(11,12)6-2-4-7(10)5-3-6/h2-5H,1H3 |
| InChI Key | NGBJVVVKPWOFIG-UHFFFAOYSA-N |
| MDL Number | MFCD21728862 |
| Molecular Formula | C9H7BrF2O2 |
| Molecular Weight | 265.0515 |
| SMILES | COC(C(C1=CC=C(Br)C=C1)(F)F)=O |
| Synonyms | 1022155-94-7,
methyl 2-(4-bromophenyl)-2,2-difluoroacetate,
METHYL (4-BROMOPHENYL)(DIFLUORO)ACETATE,
SCHEMBL16934621,
ZINC95774110,
AB84708,
J3.618.415I,
(4-Bromophenyl)difluoroacetic acid methyl ester,
Benzeneacetic acid, 4-bromo-alpha,alpha-difluoro-, methyl ester,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.054g/mol |
| Monoisotopic Mass | 263.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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