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 |
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 |
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 |
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 |
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 |
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