4,5-Dibromo-2-methyl-2H-1,2,3-triazole - CAS 28938-17-2

Catalog:	BB020019
Product Name:	4,5-Dibromo-2-methyl-2H-1,2,3-triazole
CAS:	28938-17-2
Synonyms:	4,5-dibromo-2-methyltriazole; 4,5-dibromo-2-methyltriazole

Technical Data

Patents

Computed Properties

IUPAC Name:	4,5-dibromo-2-methyltriazole
Description:	4,5-Dibromo-2-methyl-2H-1,2,3-triazole (CAS# 28938-17-2) is a useful research chemical.
Molecular Weight:	240.88
Molecular Formula:	C3H3Br2N3
Canonical SMILES:	CN1N=C(C(=N1)Br)Br
InChI:	InChI=1S/C3H3Br2N3/c1-8-6-2(4)3(5)7-8/h1H3
InChI Key:	BNHACSBPYOBEEC-UHFFFAOYSA-N
LogP:	1.34010

Publication Number	Title	Priority Date
WO-2021197276-A1	Amide compounds and uses thereof	20200330
CN-113227071-A	Amide-substituted heterocyclic compounds for the treatment of disorders associated with the modulation of IL-12, IL-23 and/or IFN-alpha	20181030
KR-20210086674-A	Amide-substituted heterocyclic compounds for the treatment of conditions associated with modulation of IL-12, IL-23 and/or IFN-alpha	20181030
EP-2889292-A1	2-substituted-2h-1, 2, 3-triazole derivative and preparation method thereof	20120824
EP-2889292-B1	2-substituted-2h-1, 2, 3-triazole derivative and preparation method thereof	20120824

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Complexity:	78.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.86732
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.86937
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3