Methyl 2-(3,4-Dichlorophenyl)-3-hydroxypropionate - CAS 1254365-79-1
Catalog: |
BB006122 |
Product Name: |
Methyl 2-(3,4-Dichlorophenyl)-3-hydroxypropionate |
CAS: |
1254365-79-1 |
Synonyms: |
2-(3,4-dichlorophenyl)-3-hydroxypropanoic acid methyl ester; methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate |
IUPAC Name: | methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate |
Description: | Methyl 2-(3,4-Dichlorophenyl)-3-hydroxypropionate (CAS# 1254365-79-1) is a useful research chemical. |
Molecular Weight: | 249.09 |
Molecular Formula: | C10H10Cl2O3 |
Canonical SMILES: | COC(=O)C(CO)C1=CC(=C(C=C1)Cl)Cl |
InChI: | InChI=1S/C10H10Cl2O3/c1-15-10(14)7(5-13)6-2-3-8(11)9(12)4-6/h2-4,7,13H,5H2,1H3 |
InChI Key: | VWPJQLPZFIYXCG-UHFFFAOYSA-N |
LogP: | 2.24230 |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.0006996 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.0006996 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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