| CAS Number | 881040-67-1 |
| Catalog Number | AG00IEWR(AGN-PC-0WOJTE) |
| Chemical Name | 1-[Chloro(phenyl)methyl]-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-[chloro(phenyl)methyl]-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C14H10ClF3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16,17)18/h1-9,13H |
| InChI Key | XVPZKCBHUWFJHK-UHFFFAOYSA-N |
| MDL Number | MFCD04967003 |
| Molecular Formula | C14H10ClF3 |
| Molecular Weight | 270.6774 |
| SMILES | ClC(c1ccccc1C(F)(F)F)c1ccccc1 |
| Synonyms | 1-[chloro(phenyl)methyl]-2-(trifluoromethyl)benzene,
881040-67-1,
AC1NFWJ6,
MIX-0121,
ZX-BK000697,
BBL020724,
KM4548,
MFCD04967003,
STK893414,
AKOS001476321,
MCULE-3659904322,
SEL10839955,
CID4715034,
1-(chloro-phenyl-methyl)-2-(trifluoromethyl)benzene,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.679g/mol |
| Monoisotopic Mass | 270.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number