Methyl 4-Azido-2,6-difluorobenzoate - CAS 1354954-17-8

Catalog:	BB008204
Product Name:	Methyl 4-Azido-2,6-difluorobenzoate
CAS:	1354954-17-8
Synonyms:	4-azido-2,6-difluorobenzoic acid methyl ester; methyl 4-azido-2,6-difluorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-azido-2,6-difluorobenzoate
Description:	Methyl 4-Azido-2,6-difluorobenzoate (CAS# 1354954-17-8) is a useful research chemical.
Molecular Weight:	213.14
Molecular Formula:	C8H5F2N3O2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1F)N=[N+]=[N-])F
InChI:	InChI=1S/C8H5F2N3O2/c1-15-8(14)7-5(9)2-4(12-13-11)3-6(7)10/h2-3H,1H3
InChI Key:	KNHGHIOIGRZEIU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2002091262-A1	Substituted aryl or heteroarylamides having retinoid-like biological activity	19951122
US-6051713-A	Substituted aryl or heteroarylamides having retinoid-like biological activity	19951122
US-6245786-B1	Substituted aryl or heteroarylamides having retinoid-like biological activity	19951122
US-6320047-B1	Substituted aryl or heteroarylamides having retinoid-like biological activity	19951122
US-6437129-B1	Substituted aryl or heteroarylamides having retinoid-like biological activity	19951122

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Complexity:	282
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.03498273
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.03498273
Rotatable Bond Count:	3
Topological Polar Surface Area:	40.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9