| CAS Number | 1261513-55-6 |
| Catalog Number | AG000RTD(AGN-PC-0WAM0Q) |
| Chemical Name | 4-BroMo-3-(DifluroMethyl)Phenol |
| IUPAC Name | 4-bromo-3-(difluoromethyl)phenol |
| InChI | InChI=1S/C7H5BrF2O/c8-6-2-1-4(11)3-5(6)7(9)10/h1-3,7,11H |
| InChI Key | OIIMOBHFWYLZBY-UHFFFAOYSA-N |
| MDL Number | MFCD18391153 |
| Molecular Formula | C7H5BrF2O |
| Molecular Weight | 223.0148 |
| SMILES | OC1=CC(C(F)F)=C(Br)C=C1 |
| Synonyms | 4-Bromo-3-(difluoromethyl)phenol,
1261513-55-6,
4-Bromo-3-(Difluromethyl)Phenol,
KS-000000UZ,
MFCD18391153,
AKOS023601025,
Phenol, 4-bromo-3-(difluoromethyl)-,
ZINC107267767,
CS-0059886,
Z2767312015,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.017g/mol |
| Monoisotopic Mass | 221.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number