Methyl 3-fluoro-4-iodobenzoate - CAS 1027513-46-7

Catalog:	BB000937
Product Name:	Methyl 3-fluoro-4-iodobenzoate
CAS:	1027513-46-7
Synonyms:	methyl 3-fluoro-4-iodobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-fluoro-4-iodobenzoate
Description:	Methyl 3-fluoro-4-iodobenzoate (CAS# 1027513-46-7 ) is a useful research chemical.
Molecular Weight:	280.03
Molecular Formula:	C8H6FIO2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)I)F
InChI:	InChI=1S/C8H6FIO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChI Key:	QLOABIRBPCIWKQ-UHFFFAOYSA-N
LogP:	2.21690

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.93966
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	279.93966
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5