| CAS Number | 6087-17-8 |
| Catalog Number | AG01DWJ4(AGN-PC-0SXZ8E) |
| Chemical Name | 2-Fluoro-4-methylpentanoic acid |
| IUPAC Name | 2-fluoro-4-methylpentanoic acid |
| InChI | InChI=1S/C6H11FO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9) |
| InChI Key | XJSHQHONRQJNKY-UHFFFAOYSA-N |
| MDL Number | MFCD24089385 |
| Molecular Formula | C6H11FO2 |
| Molecular Weight | 134.1487 |
| NSC Number | 84356 |
| SMILES | CC(C)CC(F)C(O)=O |
| Synonyms | 2-fluoro-4-methylpentanoic acid,
6087-17-8,
NSC84356,
AC1L5VKC,
AC1Q4HMN,
SCHEMBL14595123,
CTK5B2380,
Pentanoic acid,2-fluoro-4-methyl-,
2-fluoranyl-4-methyl-pentanoic acid,
NSC-84356,
AKOS019931809,
A805629,
F2147-5520,
AR-1E1724,
CID256877,
126957-44-6,
6641-62-9,
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| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.15g/mol |
| Monoisotopic Mass | 134.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number