| CAS Number | 1314698-76-4 |
| Catalog Number | AG01B1HV(AGN-PC-0WOV7V) |
| Chemical Name | 1-(5-Fluoro-2-methylphenyl)cyclopropane-1-carbonitrile |
| IUPAC Name | 1-(5-fluoro-2-methylphenyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C11H10FN/c1-8-2-3-9(12)6-10(8)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3 |
| InChI Key | FFZZPTYQNQZNME-UHFFFAOYSA-N |
| MDL Number | MFCD19692216 |
| Molecular Formula | C11H10FN |
| Molecular Weight | 175.2022 |
| SMILES | CC1=C(C2(C#N)CC2)C=C(F)C=C1 |
| Synonyms | 1-(5-fluoro-2-methylphenyl)cyclopropane-1-carbonitrile,
1314698-76-4,
1-(5-Fluoro-2-methylphenyl)cyclopropanecarbonitrile,
ZINC96034389,
AKOS026744327,
NE27364,
SY161752,
MFCD19692216 (95%),
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.206g/mol |
| Monoisotopic Mass | 175.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number