2-Fluoro-4-methylpentanoic Acid - CAS 6087-17-8
Catalog: |
BB065361 |
Product Name: |
2-Fluoro-4-methylpentanoic Acid |
CAS: |
6087-17-8 |
Synonyms: |
2-fluoro-4-methylpentanoic acid; 2-fluoro-4-methylpentanoicacid |
IUPAC Name: | 2-fluoro-4-methylpentanoic acid |
Molecular Weight: | 134.15 |
Molecular Formula: | C6H11FO2 |
Canonical SMILES: | CC(C)CC(C(=O)O)F |
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 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.07430775 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.07430775 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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