200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 130246-82-1
130246-82-1 | 1,2,4-Benzotriazine-6-carbonitrile, 1,2-dihydro-1-propyl-3-(trifluoromethyl)-
CAS No: 130246-82-1 Catalog No: AG000U6J MDL No:
Product Description
Catalog Number:
AG000U6J
Chemical Name:
1,2,4-Benzotriazine-6-carbonitrile, 1,2-dihydro-1-propyl-3-(trifluoromethyl)-
CAS Number:
130246-82-1
Molecular Formula:
C12H11F3N4
Molecular Weight:
268.2377
IUPAC Name:
1-propyl-3-(trifluoromethyl)-2H-1,2,4-benzotriazine-6-carbonitrile
InChI:
InChI=1S/C12H11F3N4/c1-2-5-19-10-4-3-8(7-16)6-9(10)17-11(18-19)12(13,14)15/h3-4,6H,2,5H2,1H3,(H,17,18)
InChI Key:
SZXLUWBAJHHJMK-UHFFFAOYSA-N
SMILES:
CCCn1[nH]c(nc2c1ccc(c2)C#N)C(F)(F)F
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.243g/mol
Monoisotopic Mass:
268.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.