| CAS Number | 350-20-9 |
| Catalog Number | AG00CLU9(AGN-PC-0WA6HL) |
| Chemical Name | 2-Chloro-6-fluoro-4-nitroaniline |
| IUPAC Name | 2-chloro-6-fluoro-4-nitroaniline |
| InChI | InChI=1S/C6H4ClFN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 |
| InChI Key | UHVFEBYNQPWONG-UHFFFAOYSA-N |
| MDL Number | MFCD23135899 |
| Molecular Formula | C4H9NO3 |
| Molecular Weight | 119.1192 |
| SMILES | Fc1cc(cc(c1N)Cl)[N+](=O)[O-] |
| Synonyms | 2-CHLORO-6-FLUORO-4-NITROANILINE,
350-20-9,
Benzenamine, 2-chloro-6-fluoro-4-nitro-,
SCHEMBL14744561,
ZINC95217812,
FCH3739098,
PC53167,
V5397,
K-7947,
C6H4ClFN2O2,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.558g/mol |
| Monoisotopic Mass | 189.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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