3-Chloro-5-(p-tolyl)-1,2,4-triazine - CAS 1368414-41-8
Catalog: |
BB008439 |
Product Name: |
3-Chloro-5-(p-tolyl)-1,2,4-triazine |
CAS: |
1368414-41-8 |
Synonyms: |
3-chloro-5-(4-methylphenyl)-1,2,4-triazine; 3-chloro-5-(4-methylphenyl)-1,2,4-triazine |
IUPAC Name: | 3-chloro-5-(4-methylphenyl)-1,2,4-triazine |
Description: | 3-Chloro-5-(p-tolyl)-1,2,4-triazine (CAS# 1368414-41-8 ) is a useful research chemical. |
Molecular Weight: | 205.64 |
Molecular Formula: | C10H8ClN3 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=CN=NC(=N2)Cl |
InChI: | InChI=1S/C10H8ClN3/c1-7-2-4-8(5-3-7)9-6-12-14-10(11)13-9/h2-6H,1H3 |
InChI Key: | VPGACEUEVMQOTK-UHFFFAOYSA-N |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.040675 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.040675 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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