1-(4-Methylbenzyl)-3-nitro-1H-1,2,4-triazole - CAS 712344-63-3
Catalog: |
BB049544 |
Product Name: |
1-(4-Methylbenzyl)-3-nitro-1H-1,2,4-triazole |
CAS: |
712344-63-3 |
Synonyms: |
1-(4-Methyl-benzyl)-3-nitro-1H-[1,2,4]triazole |
IUPAC Name: | 1-[(4-methylphenyl)methyl]-3-nitro-1,2,4-triazole |
Description: | 1-(4-Methylbenzyl)-3-nitro-1H-1,2,4-triazole (CAS# 712344-63-3 ) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C10H10N4O2 |
Canonical SMILES: | CC1=CC=C(C=C1)CN2C=NC(=N2)[N+](=O)[O-] |
InChI: | InChI=1S/C10H10N4O2/c1-8-2-4-9(5-3-8)6-13-7-11-10(12-13)14(15)16/h2-5,7H,6H2,1H3 |
InChI Key: | YGVUADRDPKKSRW-UHFFFAOYSA-N |
Boiling Point: | 442.8±48.0 ℃ at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.08037557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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