| CAS Number | 261951-93-3 |
| Catalog Number | AG00BX7R(AGN-PC-0WAO98) |
| Chemical Name | 2-Methyl-4-(trifluoromethoxy)benzoyl chloride |
| IUPAC Name | 2-methyl-4-(trifluoromethoxy)benzoyl chloride |
| InChI | InChI=1S/C9H6ClF3O2/c1-5-4-6(15-9(11,12)13)2-3-7(5)8(10)14/h2-4H,1H3 |
| InChI Key | DHBUFFOSJJREPU-UHFFFAOYSA-N |
| MDL Number | MFCD01631544 |
| Molecular Formula | C9H6ClF3O2 |
| Molecular Weight | 238.5909 |
| SMILES | CC1=C(C=CC(OC(F)(F)F)=C1)C(Cl)=O |
| Synonyms | 2-methyl-4-(trifluoromethoxy)benzoyl Chloride,
261951-93-3,
AC1MD48B,
2-Methyl-4-(trifluoromethoxy)benzoyl chloride 95+%,
SCHEMBL4666472,
CTK6G5416,
ZINC2382229,
ZX-AP000945,
MFCD01631544,
PC1063,
SBB098974,
ACM261951933,
PS-10725,
RT-007904,
K-6798,
CID2783305,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.59g/mol |
| Monoisotopic Mass | 238.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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