| CAS Number | 886501-33-3 |
| Catalog Number | AG00GSX1(AGN-PC-0WAOCJ) |
| Chemical Name | 2-Chloro-3,6-difluorobenzonitrile |
| IUPAC Name | 2-chloro-3,6-difluorobenzonitrile |
| InChI | InChI=1S/C7H2ClF2N/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H |
| InChI Key | AREWFYUZFHLWNH-UHFFFAOYSA-N |
| MDL Number | MFCD06660175 |
| Molecular Formula | C7H2ClF2N |
| Molecular Weight | 173.5473 |
| SMILES | N#CC1=C(F)C=CC(F)=C1Cl |
| Synonyms | 2-CHLORO-3,6-DIFLUOROBENZONITRILE,
886501-33-3,
MFCD06660175,
SCHEMBL4592838,
CTK7C6528,
AREWFYUZFHLWNH-UHFFFAOYSA-N,
JRD-1564,
2-Chloro-3,6-difluoro-benzonitrile,
SBB088795,
ZINC12359244,
AKOS015956885,
2-chloro-3,6-difluorobenzenecarbonitrile,
2-Chloro-3,6-difluorobenzonitrile, 97%,
AS-35864,
CS-0060114,
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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