| CAS Number | 859027-06-8 |
| Catalog Number | AG00IDT7(AGN-PC-0WOJKW) |
| Chemical Name | 4-Nitro-2-trifluoromethylbenzyl alcohol |
| IUPAC Name | [4-nitro-2-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H6F3NO3/c9-8(10,11)7-3-6(12(14)15)2-1-5(7)4-13/h1-3,13H,4H2 |
| InChI Key | PHXSMIURLXWUMB-UHFFFAOYSA-N |
| MDL Number | MFCD11847130 |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.1333 |
| SMILES | c1cc(c(cc1N(=O)=O)C(F)(F)F)CO |
| Synonyms | 859027-06-8,
(4-NITRO-2-(TRIFLUOROMETHYL)PHENYL)METHANOL,
[4-nitro-2-(trifluoromethyl)phenyl]methanol,
2-trifluoromethyl-4-nitrobenzyl alcohol,
SCHEMBL2015323,
DTXSID10694919,
MFCD11847130,
ZINC95642906,
PC10461,
AS-41466,
SC-31549,
4-Nitro-2-(trifluoromethyl)benzyl alcohol,
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| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.135g/mol |
| Monoisotopic Mass | 221.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number