| CAS Number | 1249896-03-4 |
| Catalog Number | AG000MY7(AGN-PC-0ENLSN) |
| Chemical Name | N-Butyl-2,3-difluoro-6-nitroaniline |
| IUPAC Name | N-butyl-2,3-difluoro-6-nitroaniline |
| InChI | InChI=1S/C10H12F2N2O2/c1-2-3-6-13-10-8(14(15)16)5-4-7(11)9(10)12/h4-5,13H,2-3,6H2,1H3 |
| InChI Key | FJWJZNBNYYMEQK-UHFFFAOYSA-N |
| MDL Number | MFCD16787132 |
| Molecular Formula | C10H12F2N2O2 |
| Molecular Weight | 230.2113 |
| SMILES | CCCCNc1c(ccc(c1F)F)[N+](=O)[O-] |
| Synonyms | N-Butyl-2,3-difluoro-6-nitroaniline,
1249896-03-4,
ACMC-209ath,
CTK8A9581,
DTXSID20734416,
ANW-18291,
MFCD16787132,
ZINC53162758,
AKOS011821978,
TC-107036,
Z8846,
Benzenamine, N-butyl-2,3-difluoro-6-nitro-,
B-8782,
C10H12F2N2O2,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.215g/mol |
| Monoisotopic Mass | 230.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number