5-Bromo-3-(methoxymethyl)-1H-1,2,4-triazole - CAS 1210892-10-6
Catalog: |
BB005033 |
Product Name: |
5-Bromo-3-(methoxymethyl)-1H-1,2,4-triazole |
CAS: |
1210892-10-6 |
Synonyms: |
3-bromo-5-(methoxymethyl)-1H-1,2,4-triazole |
IUPAC Name: | 3-bromo-5-(methoxymethyl)-1H-1,2,4-triazole |
Description: | 5-Bromo-3-(methoxymethyl)-1H-1,2,4-triazole (CAS# 1210892-10-6) is a useful research chemical. |
Molecular Weight: | 192.01 |
Molecular Formula: | C4H6BrN3O |
Canonical SMILES: | COCC1=NC(=NN1)Br |
InChI: | InChI=1S/C4H6BrN3O/c1-9-2-3-6-4(5)8-7-3/h2H2,1H3,(H,6,7,8) |
InChI Key: | KMKCULBLUKSXDU-UHFFFAOYSA-N |
LogP: | 0.71360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 91.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.96942 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.96942 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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