| CAS Number | 1214330-94-5 |
| Catalog Number | AG0014SA(AGN-PC-0H90H4) |
| Chemical Name | (2-Bromo-3-(trifluoromethyl)phenyl)methanol |
| IUPAC Name | [2-bromo-3-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H6BrF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3,13H,4H2 |
| InChI Key | RXILCRCVSXPTRR-UHFFFAOYSA-N |
| MDL Number | MFCD13185396 |
| Molecular Formula | C8H6BrF3O |
| Molecular Weight | 255.0318 |
| SMILES | c1(cccc(c1Br)CO)C(F)(F)F |
| Synonyms | (2-Bromo-3-(trifluoromethyl)phenyl)methanol,
1214330-94-5,
2-BROMO-3-(TRIFLUOROMETHYL)BENZYL ALCOHOL,
SCHEMBL1587748,
RXILCRCVSXPTRR-UHFFFAOYSA-N,
MFCD13185396,
AKOS027339609,
ZINC116599731,
FCH1380616,
PC49387,
(2-Bromo-trifluoromethyl-phenyl)-methanol,
Benzenemethanol, 2-bromo-3-(trifluoromethyl)-,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.034g/mol |
| Monoisotopic Mass | 253.955g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number