| CAS Number | 1000577-64-9 |
| Catalog Number | AG0000RU(AGN-PC-0WD0HU) |
| Chemical Name | 6-Amino-3-chloro-2-fluorobenzonitrile |
| IUPAC Name | 6-amino-3-chloro-2-fluorobenzonitrile |
| InChI | InChI=1S/C7H4ClFN2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2H,11H2 |
| InChI Key | IWKYFJYZLOWWKJ-UHFFFAOYSA-N |
| MDL Number | MFCD09800807 |
| Molecular Formula | C7H4ClFN2 |
| Molecular Weight | 170.5715 |
| SMILES | C1(F)=C(C=CC(N)=C1C#N)Cl |
| Synonyms | 6-Amino-3-chloro-2-fluorobenzonitrile,
1000577-64-9,
2-Amino-5-chloro-6-fluorobenzonitrile,
SCHEMBL12968329,
CTK8C4357,
DTXSID80650224,
0071AA,
ANW-71648,
FCH870435,
ZINC15443827,
AKOS006326731,
FS-5512,
AJ-67517,
AK-77156,
Benzonitrile, 6-amino-3-chloro-2-fluoro-,
AX8223505,
TC-160393,
C7H4ClFN2,
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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 | 170.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.571g/mol |
| Monoisotopic Mass | 170.005g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number