| CAS Number | 56223-89-3 |
| Catalog Number | AG00DASZ(AGN-PC-0WB4O9) |
| Chemical Name | 2-((4-Nitro-2-(trifluoromethyl)phenyl)amino)ethanol |
| IUPAC Name | 2-[4-nitro-2-(trifluoromethyl)anilino]ethanol |
| InChI | InChI=1S/C9H9F3N2O3/c10-9(11,12)7-5-6(14(16)17)1-2-8(7)13-3-4-15/h1-2,5,13,15H,3-4H2 |
| InChI Key | CREYDPIGARYVFF-UHFFFAOYSA-N |
| MDL Number | MFCD01435982 |
| Molecular Formula | C9H9F3N2O3 |
| Molecular Weight | 250.1746 |
| SMILES | C1(=C(NCCO)C=CC(=C1)[N+](=O)[O-])C(F)(F)F |
| Synonyms | 56223-89-3,
2-{[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]AMINO}ETHANOL,
2-[4-nitro-2-(trifluoromethyl)anilino]ethanol,
CHEMBRDG-BB 6790214,
2-((4-Nitro-2-(trifluoromethyl)phenyl)amino)ethanol,
AC1MF5GT,
SCHEMBL9363436,
CTK5A4808,
DTXSID20387789,
ZINC4818891,
MFCD01435982,
AKOS010150337,
AJ-52370,
W-8279,
AB00119281-01,
SR-01000243190,
SR-01000243190-1,
ZINC04818891,
CID2914060,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.177g/mol |
| Monoisotopic Mass | 250.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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