| CAS Number | 157647-02-4 |
| Catalog Number | AG00AMPA(AGN-PC-0WAOVW) |
| Chemical Name | 6-Chloro-2,3-difluorobenzonitrile |
| IUPAC Name | 6-chloro-2,3-difluorobenzonitrile |
| InChI | InChI=1S/C7H2ClF2N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H |
| InChI Key | WKQOTAVCQBOWLA-UHFFFAOYSA-N |
| MDL Number | MFCD12922576 |
| Molecular Formula | C7H2ClF2N |
| Molecular Weight | 173.5473 |
| SMILES | N#Cc1c(Cl)ccc(c1F)F |
| Synonyms | 6-Chloro-2,3-difluorobenzonitrile,
157647-02-4,
MFCD12922576,
SCHEMBL9016832,
WKQOTAVCQBOWLA-UHFFFAOYSA-N,
2-chloro-5,6-difluorobenzonitrile,
2,3-Difluoro-6-chlorobenzonitrile,
ZINC36404372,
AKOS006335603,
JS-5033,
6-Chloro-2,3-difluorobenzonitrile, 97%,
6-chloro-2,3-difluoro-benzonitrile,
CID11745112,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.547g/mol |
| Monoisotopic Mass | 172.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number