Methyl 2-Fluoro-2-methylpropionate - CAS 338-76-1

Catalog:	BB021877
Product Name:	Methyl 2-Fluoro-2-methylpropionate
CAS:	338-76-1
Synonyms:	2-fluoro-2-methylpropanoic acid methyl ester; methyl 2-fluoro-2-methylpropanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-fluoro-2-methylpropanoate
Description:	Methyl 2-Fluoro-2-methylpropionate (CAS# 338-76-1) is a key intermediates in the synthesis of triazine herbicides and plant growth regulators.
Molecular Weight:	120.12
Molecular Formula:	C5H9FO2
Canonical SMILES:	CC(C)(C(=O)OC)F
InChI:	InChI=1S/C5H9FO2/c1-5(2,6)4(7)8-3/h1-3H3
InChI Key:	OEGBOFOVYSOERL-UHFFFAOYSA-N
Density:	1.356 g/cm³
LogP:	0.90750

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GHS Hazard Statement:	H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	98.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.05865769
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	120.05865769
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4