Chlorophenprop-methyl - CAS 14437-17-3

Catalog:	BB062483
Product Name:	Chlorophenprop-methyl
CAS:	14437-17-3
Synonyms:	2-Chloro-3-(4-chlorophenyl)propionic Acid Methyl Ester; B 57-10; BAY 70533; Bayer 70533

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Computed Properties

IUPAC Name:	methyl 2-chloro-3-(4-chlorophenyl)propanoate
Description:	Chlorophenprop-methyl is used in bacterial fermentation products.
Molecular Weight:	233.09
Molecular Formula:	C10H10Cl2O2
Canonical SMILES:	COC(=O)C(CC1=CC=C(C=C1)Cl)Cl
InChI:	InChI=1S/C10H10Cl2O2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3
InChI Key:	YJKIALIXRCSISK-UHFFFAOYSA-N
References:	Wozniak, E. PCT Int. Appl. (2020), WO 2020118278 A1.

Publication Number	Title	Priority Date
JP-2021152037-A	Heterocyclic amide compound	20210611
JP-2022042246-A	Herbicide phytotoxicity mitigating agent and herbicide composition with reduced phytotoxicity	20200902
JP-2022042267-A	Herbicidal composition and method of weeding	20200902
JP-2022032709-A	Pyridadinone compounds and herbicides	20200813
JP-2021006524-A	Heterocyclic compound	20200626
AU-2021203642-A1	A combination comprising a benzamide herbicide and a pyridine carboxylic acid herbicide and a method for making and using the combination	20200603
CA-3120831-A1	A composition comprising a benzamide herbicide and a pyridine carboxylic acid herbicide and a method for making and using the composition	20200603
US-2021378241-A1	Combination comprising a benzamide herbicide and a pyridine carboxylic acid herbicide, and a method for making and using the combination	20200603
WO-2021245003-A1	Selective herbicides based on substituted isoxazolin carboxamides and isoxadifen-ethyl	20200602
WO-2021245004-A1	Selective herbicides based on substituted isoxazolin carboxamides and cloquintocet-mexyl	20200602

PMID	Publication Date	Title	Journal
12701706	20030401	Alkylating reactivity and herbicidal activity of chloroacetamides	Pest management science

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GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, and P501
Signal Word:	Warning

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.0057849
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.0057849
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4