4-Chloro-3-fluoro-benzeneacetic Acid Methyl Ester - CAS 1035262-89-5
Catalog: |
BB073939 |
Product Name: |
4-Chloro-3-fluoro-benzeneacetic Acid Methyl Ester |
CAS: |
1035262-89-5 |
Synonyms: |
METHYL 2-(4-CHLORO-3-FLUOROPHENYL)ACETATE; (4-Chloro-3-fluorophenyl)acetic acid methyl ester; Methyl (4-chloro-3-fluorophenyl)acetate |
IUPAC Name: | methyl 2-(4-chloro-3-fluorophenyl)acetate |
Molecular Weight: | 202.61 |
Molecular Formula: | C9H8O2FCl |
Canonical SMILES: | COC(=O)CC1=CC(=C(C=C1)Cl)F |
InChI: | InChI=1S/C9H8ClFO2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3 |
InChI Key: | CHIFGWQBSUHXMZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0196853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0196853 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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