2-Fluoro-3-methylbenzonitrile - CAS 185147-07-3

Catalog:	BB014198
Product Name:	2-Fluoro-3-methylbenzonitrile
CAS:	185147-07-3
Synonyms:	2-fluoro-3-methylbenzonitrile; 2-fluoro-3-methylbenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-fluoro-3-methylbenzonitrile
Description:	2-Fluoro-3-methylbenzonitrile (CAS# 185147-07-3) is a useful research chemical.
Molecular Weight:	135.14
Molecular Formula:	C8H6FN
Canonical SMILES:	CC1=CC=CC(=C1F)C#N
InChI:	InChI=1S/C8H6FN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3
InChI Key:	KBFVSJVSSMGQJC-UHFFFAOYSA-N
Boiling Point:	220.3 °C at 760 mmHg
Density:	1.11 g/cm³
Appearance:	Liquid
MDL:	MFCD07782078
LogP:	2.00578

Publication Number	Title	Priority Date
WO-2020150676-A1	1,8-naphthyridinone compounds and uses thereof	20190118
WO-2020147705-A1	4-pyridinyl formamide compound or derivative thereof, preparation method therefor, herbicidal composition and use thereof	20190114
WO-2020048347-A1	Aminopyrimido five-membered heterocyclic compound, and intermediate thereof, preparation method therefor, pharmaceutical composition thereof and application thereof	20180904
WO-2019238067-A1	Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof	20180613
TW-202016109-A	Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof	20180613

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Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.048427358
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	135.048427358
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1