Methyl 4-(Chloromethyl)-3-fluorobenzoate - CAS 1567097-97-5
Catalog: |
BB011250 |
Product Name: |
Methyl 4-(Chloromethyl)-3-fluorobenzoate |
CAS: |
1567097-97-5 |
Synonyms: |
4-(chloromethyl)-3-fluorobenzoic acid methyl ester; methyl 4-(chloromethyl)-3-fluorobenzoate |
IUPAC Name: | methyl 4-(chloromethyl)-3-fluorobenzoate |
Description: | Methyl 4-(Chloromethyl)-3-fluorobenzoate (CAS# 1567097-97-5) is a useful research chemical. |
Molecular Weight: | 202.61 |
Molecular Formula: | C9H8ClFO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)CCl)F |
InChI: | InChI=1S/C9H8ClFO2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,5H2,1H3 |
InChI Key: | NOMRXUAGVLETSS-UHFFFAOYSA-N |
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: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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