Methyl 4-Amino-3,5-difluorobenzoate - CAS 1162676-00-7

Catalog:	BB003732
Product Name:	Methyl 4-Amino-3,5-difluorobenzoate
CAS:	1162676-00-7
Synonyms:	4-amino-3,5-difluorobenzoic acid methyl ester; methyl 4-amino-3,5-difluorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-amino-3,5-difluorobenzoate
Description:	Methyl 4-Amino-3,5-difluorobenzoate (CAS# 1162676-00-7) is a useful research chemical.
Molecular Weight:	187.14
Molecular Formula:	C8H7F2NO2
Canonical SMILES:	COC(=O)C1=CC(=C(C(=C1)F)N)F
InChI:	InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
InChI Key:	USVQDPOQLNDARY-UHFFFAOYSA-N
MDL:	MFCD20725083
LogP:	1.91480

Publication Number	Title	Priority Date
WO-2020168017-A1	Compositions containing, methods and uses of antibody-tlr agonist conjugates	20190212
WO-2019222635-A1	Photocontrolled dynamic covalent linkers for polymer networks	20180518
US-2021179788-A1	Photocontrolled dynamic covalent linkers for polymer networks	20180518
WO-2017153235-A1	Substituted n-cyclo-3-aryl-1-naphthamides and use thereof	20160309
CA-2960324-A1	Substituted n,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents	20140909

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Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.04448479
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.04448479
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3