Methyl 5-Fluoro-2-methylbenzoate - CAS 175278-29-2

Catalog:	BB013119
Product Name:	Methyl 5-Fluoro-2-methylbenzoate
CAS:	175278-29-2
Synonyms:	5-fluoro-2-methylbenzoic acid methyl ester; methyl 5-fluoro-2-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-fluoro-2-methylbenzoate
Description:	Methyl 5-Fluoro-2-methylbenzoate (CAS# 175278-29-2) is a useful research chemical.
Molecular Weight:	168.17
Molecular Formula:	C9H9FO2
Canonical SMILES:	CC1=C(C=C(C=C1)F)C(=O)OC
InChI:	InChI=1S/C9H9FO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
InChI Key:	VXFMZNALKZLCBN-UHFFFAOYSA-N
Boiling Point:	211.9 °C at 760 mmHg
Density:	1.137 g/cm³
MDL:	MFCD00221457
LogP:	1.92070

Publication Number	Title	Priority Date
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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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9