Methyl 2-Fluoro-5-methylbenzoate - CAS 2967-93-3

Catalog:	BB020269
Product Name:	Methyl 2-Fluoro-5-methylbenzoate
CAS:	2967-93-3
Synonyms:	2-fluoro-5-methylbenzoic acid methyl ester; methyl 2-fluoro-5-methylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-fluoro-5-methylbenzoate
Description:	Methyl 2-Fluoro-5-methylbenzoate (CAS# 2967-93-3) is a useful research chemical.
Molecular Weight:	168.16
Molecular Formula:	C9H9FO2
Canonical SMILES:	CC1=CC(=C(C=C1)F)C(=O)OC
InChI:	InChI=1S/C9H9FO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,1-2H3
InChI Key:	KPJYZNQMHXINEO-UHFFFAOYSA-N
LogP:	1.92070

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05865769
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.05865769
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2