Methyl 4-Chloro-2-fluorobenzoate - CAS 148893-72-5
Catalog: |
BB010346 |
Product Name: |
Methyl 4-Chloro-2-fluorobenzoate |
CAS: |
148893-72-5 |
Synonyms: |
4-chloro-2-fluorobenzoic acid methyl ester; methyl 4-chloro-2-fluorobenzoate |
IUPAC Name: | methyl 4-chloro-2-fluorobenzoate |
Description: | Methyl 4-Chloro-2-fluorobenzoate (CAS# 148893-72-5) is a useful research chemical. |
Molecular Weight: | 188.58 |
Molecular Formula: | C8H6ClFO2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)Cl)F |
InChI: | InChI=1S/C8H6ClFO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3 |
InChI Key: | FBSXNLLHWUMFEW-UHFFFAOYSA-N |
Boiling Point: | 228.4 °C at 760 mmHg |
Density: | 1.314 g/cm3 |
LogP: | 2.26570 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0040353 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0040353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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