2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one - CAS 97986-18-0
Catalog: |
BB070472 |
Product Name: |
2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one |
CAS: |
97986-18-0 |
Synonyms: |
2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one; 1-(2-Fluoro-4-chloro-5-methoxyphenyl)-3-methyl-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one; 1-(4-chloro-2-fluoro-5-methoxyphenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one |
IUPAC Name: | 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one |
Molecular Weight: | 307.66 |
Molecular Formula: | C11H9ClF3N3O2 |
Canonical SMILES: | CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC |
InChI: | InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3 |
InChI Key: | WCGVTAFTSAKOKS-UHFFFAOYSA-N |
Complexity: | 424 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.0335387 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.0335387 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 45.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
-
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
-
[286961-14-6]
N-Boc-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester
-
[3886-90-6]
N,N-dimethyloctadecanamide
-
[16208-48-3]
Ethanesulfonic acid, 2,2'-trithiodi-, disodium salt
-
[133407-82-6]
MG-132
-
[934342-39-9]
1-Boc-3-fluoropiperidine-3-carboxylic acid
INDUSTRY LEADERS TRUST OUR PRODUCTS