| CAS Number | 1035262-16-8 |
| Catalog Number | AG0085N8(AGN-PC-0WNMP0) |
| Chemical Name | 2-(3,4-Difluorophenyl)-2-Methylpropanenitrile |
| IUPAC Name | 2-(3,4-difluorophenyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C10H9F2N/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3 |
| InChI Key | VDWLNFKRCLDVEX-UHFFFAOYSA-N |
| MDL Number | MFCD11036569 |
| Molecular Formula | C10H9F2N |
| Molecular Weight | 181.1820 |
| SMILES | CC(C1=CC(F)=C(F)C=C1)(C#N)C |
| Synonyms | 2-(3,4-Difluorophenyl)-2-methylpropanenitrile,
1035262-16-8,
ACMC-20987y,
C10H9F2N,
SCHEMBL1626865,
CTK8A9063,
DTXSID00717101,
VDWLNFKRCLDVEX-UHFFFAOYSA-N,
ANW-14924,
FCH886436,
MFCD11036569,
ZINC82046472,
AKOS006307024,
CJ-22008,
AJ-124167,
AX8240083,
TC-103669,
Z6670,
K-0378,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.186g/mol |
| Monoisotopic Mass | 181.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number