Methyl 3-(3-Chlorophenyl)-3-oxopropanoate - CAS 632327-19-6
Catalog: |
BB032065 |
Product Name: |
Methyl 3-(3-Chlorophenyl)-3-oxopropanoate |
CAS: |
632327-19-6 |
Synonyms: |
3-(3-chlorophenyl)-3-oxopropanoic acid methyl ester; methyl 3-(3-chlorophenyl)-3-oxopropanoate |
IUPAC Name: | methyl 3-(3-chlorophenyl)-3-oxopropanoate |
Description: | Methyl 3-(3-Chlorophenyl)-3-oxopropanoate (CAS# 632327-19-6) is a useful research chemical. |
Molecular Weight: | 212.63 |
Molecular Formula: | C10H9ClO3 |
Canonical SMILES: | COC(=O)CC(=O)C1=CC(=CC=C1)Cl |
InChI: | InChI=1S/C10H9ClO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3 |
InChI Key: | MDZSDWBDIPJXKR-UHFFFAOYSA-N |
LogP: | 2.08580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0240218 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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