| CAS Number | 1365272-58-7 |
| Catalog Number | AG00121C(AGN-PC-0WA4J4) |
| Chemical Name | 1-Cyclohexyl-6,7-difluoro-1,3-benzodiazole |
| IUPAC Name | 1-cyclohexyl-6,7-difluorobenzimidazole |
| InChI | InChI=1S/C13H14F2N2/c14-10-6-7-11-13(12(10)15)17(8-16-11)9-4-2-1-3-5-9/h6-9H,1-5H2 |
| InChI Key | PWQJIHCSKKIAHC-UHFFFAOYSA-N |
| MDL Number | MFCD21609577 |
| Molecular Formula | C13H14F2N2 |
| Molecular Weight | 236.2605 |
| SMILES | Fc1c(F)ccc2c1n(cn2)C1CCCCC1 |
| Synonyms | 1-Cyclohexyl-6,7-difluoro-1,3-benzodiazole,
1365272-58-7,
1-Cyclohexyl-6,7-difluoro-1H-benzimidazole,
ACMC-209c8f,
CTK8B0558,
DTXSID90742907,
ANW-20125,
MFCD21609577,
ZINC85477111,
AKOS026672980,
TC-108870,
V2618,
1H-Benzimidazole, 1-cyclohexyl-6,7-difluoro-,
C13H14F2N2,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.266g/mol |
| Monoisotopic Mass | 236.113g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H317-H319
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number