4-Bromo-3-(dibromomethyl)benzonitrile - CAS 160313-49-5

Catalog:	BB011620
Product Name:	4-Bromo-3-(dibromomethyl)benzonitrile
CAS:	160313-49-5
Synonyms:	4-bromo-3-(dibromomethyl)benzonitrile; 4-bromo-3-(dibromomethyl)benzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-3-(dibromomethyl)benzonitrile
Description:	4-Bromo-3-(dibromomethyl)benzonitrile (CAS# 160313-49-5 ) is a useful research chemical.
Molecular Weight:	353.84
Molecular Formula:	C8H4Br3N
Canonical SMILES:	C1=CC(=C(C=C1C#N)C(Br)Br)Br
InChI:	InChI=1S/C8H4Br3N/c9-7-2-1-5(4-12)3-6(7)8(10)11/h1-3,8H
InChI Key:	DDQLVABPXBLYOY-UHFFFAOYSA-N
LogP:	4.10918

Publication Number	Title	Priority Date
WO-2018156554-A1	1-HYDROXY-1,3-DIHYDROBENZO[c][1,2]OXABOROLES AND THEIR USE AS HERBICIDES	20170221
CA-2737739-A1	Heteroaryl antagonists of prostaglandin d2 receptors	20080929
CA-2737739-C	Heteroaryl antagonists of prostaglandin d2 receptors	20080929
EP-2328869-A2	Heteroaryl antagonists of prostaglandin d2 receptors	20080929
GB-2463788-A	Pyridinyl antagonists of prostaglandin D2 receptors	20080929

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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
[1427004-19-0]
DBCO-PEG4-NHS 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
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	352.78734
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	350.78939
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8