2-(4-Bromo-2-methylphenyl)acetonitrile - CAS 215800-05-8

Catalog:	BB016980
Product Name:	2-(4-Bromo-2-methylphenyl)acetonitrile
CAS:	215800-05-8
Synonyms:	2-(4-bromo-2-methylphenyl)acetonitrile; 2-(4-bromo-2-methylphenyl)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(4-bromo-2-methylphenyl)acetonitrile
Description:	2-(4-Bromo-2-methylphenyl)acetonitrile (CAS# 215800-05-8) is a useful research chemical.
Molecular Weight:	210.07
Molecular Formula:	C9H8BrN
Canonical SMILES:	CC1=C(C=CC(=C1)Br)CC#N
InChI:	InChI=1S/C9H8BrN/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,6H,4H2,1H3
InChI Key:	JVPNKXZIJKBMDH-UHFFFAOYSA-N
LogP:	2.82358

Publication Number	Title	Priority Date
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821
WO-2021000925-A1	PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF	20190704
WO-2020120141-A1	Functionalised amine derivatives as il-17 modulators	20181211
CN-113260418-A	Functionalized amine derivatives as IL-17 modulators	20181211
EP-3894003-A1	Functionalised amine derivatives as il-17 modulators	20181211

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.98401
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.98401
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6