4-Bromo-2-methyl-2H-1,2,3-triazole - CAS 16681-67-7

Catalog:	BB012320
Product Name:	4-Bromo-2-methyl-2H-1,2,3-triazole
CAS:	16681-67-7
Synonyms:	4-bromo-2-methyltriazole; 4-bromo-2-methyltriazole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2-methyltriazole
Description:	4-Bromo-2-methyl-2H-1,2,3-triazole (CAS# 16681-67-7) is a useful research chemical.
Molecular Weight:	161.99
Molecular Formula:	C3H4BrN3
Canonical SMILES:	CN1N=CC(=N1)Br
InChI:	InChI=1S/C3H4BrN3/c1-7-5-2-3(4)6-7/h2H,1H3
InChI Key:	OEFNDZLVSBSRMG-UHFFFAOYSA-N
LogP:	0.57760

Publication Number	Title	Priority Date
WO-2021197276-A1	Amide compounds and uses thereof	20200330
WO-2021092262-A1	Mrgprx2 antagonists and uses thereof	20191105
US-2021128532-A1	Heterocyclic carboxylate compounds as glycolate oxidase inhibitors	20191101
WO-2021086874-A1	Heterocyclic carboxylate compounds as glycolate oxidase inhibitors	20191101
WO-2021013864-A1	4-(imidazo[1,2-a]pyridin-3-yl) -pyrimidine derivatives	20190724

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Related Functional Groups

Triazole/Tetrazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	67.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.95886
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3