2-Fluoro-4-(methylsulfonyl)nitrobenzene - CAS 1166756-97-3

Catalog:	BB003795
Product Name:	2-Fluoro-4-(methylsulfonyl)nitrobenzene
CAS:	1166756-97-3
Synonyms:	2-fluoro-4-methylsulfonyl-1-nitrobenzene; 2-fluoro-4-methylsulfonyl-1-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	2-fluoro-4-methylsulfonyl-1-nitrobenzene
Description:	2-Fluoro-4-(methylsulfonyl)nitrobenzene (CAS# 1166756-97-3) is a useful research chemical.
Molecular Weight:	219.19
Molecular Formula:	C7H6FNO4S
Canonical SMILES:	CS(=O)(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F
InChI:	InChI=1S/C7H6FNO4S/c1-14(12,13)5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key:	NIAYCKUEQBPTDM-UHFFFAOYSA-N
LogP:	3.28390

Publication Number	Title	Priority Date
TW-201934548-A	Formamide compound and its use	20180220
US-2019382380-A1	Carboxamide compounds and uses thereof	20180220
WO-2019164846-A1	N-(phenyl)-2-(phenyl)pyrimidine-4-carboxamide derivatives and related compounds as hpk1 inhibitors for treating cancer	20180220
AU-2019223955-A1	N-(phenyl)-2-(phenyl)pyrimidine-4-carboxamide derivatives and related compounds as HPK1 inhibitors for treating cancer	20180220
IL-276779-D0	Derivatives and Related Compounds of n - (Panyl) - 2 - (Panil) Pyrimidine - 4 - Carboxymed as HPC1 Inhibitors of Cancer	20180220

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Complexity:	318
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.00015701
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.00015701
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1