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Home > Fluorides > 143681-53-2
143681-53-2 | 1,2,4-Benzotriazine, 7-methyl-3-(trifluoromethyl)-
CAS No: 143681-53-2 Catalog No: AG001I6P MDL No:
Product Description
Catalog Number:
AG001I6P
Chemical Name:
1,2,4-Benzotriazine, 7-methyl-3-(trifluoromethyl)-
CAS Number:
143681-53-2
Molecular Formula:
C9H6F3N3
Molecular Weight:
213.1592
IUPAC Name:
7-methyl-3-(trifluoromethyl)-1,2,4-benzotriazine
InChI:
InChI=1S/C9H6F3N3/c1-5-2-3-6-7(4-5)14-15-8(13-6)9(10,11)12/h2-4H,1H3
InChI Key:
MNSUMZVSNXZPHA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nnc(n2)C(F)(F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.163g/mol
Monoisotopic Mass:
213.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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