| CAS Number | 99422-00-1 |
| Catalog Number | AG00IKA2 |
| Chemical Name | Acetone 2-nitro-4-(trifluoromethyl)phenylhydrazone |
| IUPAC Name | 2-nitro-N-(propan-2-ylideneamino)-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C10H10F3N3O2/c1-6(2)14-15-8-4-3-7(10(11,12)13)5-9(8)16(17)18/h3-5,15H,1-2H3 |
| InChI Key | RDIXPSJRLOIQBD-UHFFFAOYSA-N |
| MDL Number | MFCD00763903 |
| Molecular Formula | C10H10F3N3O2 |
| Molecular Weight | 261.2005 |
| SMILES | CC(C)=NNC1=C(C=C(C=C1)C(F)(F)F)[N+]([O-])=O |
| Synonyms | Acetone 2-nitro-4-(trifluoromethyl)phenylhydrazone,
99422-00-1,
N-ISOPROPYLIDENE-N'-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]HYDRAZINE,
AC1MCV1K,
CTK5J9052,
2-nitro-N-(propan-2-ylideneamino)-4-(trifluoromethyl)aniline,
MFCD00763903,
PC0817,
SBB102402,
ZINC16125550,
AKOS025117223,
PS-10399,
(2-methyl-1-azaprop-1-enyl)[2-nitro-4-(trifluoromethyl)phenyl]amine,
1-(2-nitro-4-(trifluoromethyl)phenyl)-2-(propan-2-ylidene)hydrazine,
CID2779219,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.204g/mol |
| Monoisotopic Mass | 261.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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