4-(Dimethylcarbamoyl)-2-fluorophenylboronic Acid - CAS 874289-30-2

Catalog:	BB038446
Product Name:	4-(Dimethylcarbamoyl)-2-fluorophenylboronic Acid
CAS:	874289-30-2
Synonyms:	[4-[dimethylamino(oxo)methyl]-2-fluorophenyl]boronic acid; [4-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[4-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid
Description:	4-(Dimethylcarbamoyl)-2-fluorophenylboronic Acid (CAS# 874289-30-2) is a useful research chemical.
Molecular Weight:	211.00
Molecular Formula:	C9H11FNO3B
Canonical SMILES:	B(C1=C(C=C(C=C1)C(=O)N(C)C)F)(O)O
InChI:	InChI=1S/C9H11BFNO3/c1-12(2)9(13)6-3-4-7(10(14)15)8(11)5-6/h3-5,14-15H,1-2H3
InChI Key:	IOTCMPCBVDPZTB-UHFFFAOYSA-N
LogP:	-0.79270

Publication Number	Title	Priority Date
WO-2019238067-A1	Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof	20180613
CN-112243439-A	Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof	20180613
AU-2018388404-A1	Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
AU-2018392816-A1	Chromenopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
WO-2019126730-A1	Chromenopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.0816015
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	211.0816015
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0