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80722-71-0 | N,N-DIMETHYL-1,2,4-BENZOTRIAZINE-3-ACETAMIDE
CAS No: 80722-71-0 Catalog No: AG005JRH MDL No:
Product Description
Catalog Number:
AG005JRH
Chemical Name:
N,N-DIMETHYL-1,2,4-BENZOTRIAZINE-3-ACETAMIDE
CAS Number:
80722-71-0
Molecular Formula:
C11H12N4O
Molecular Weight:
216.2392
IUPAC Name:
2-(1,2,4-benzotriazin-3-yl)-N,N-dimethylacetamide
InChI:
InChI=1S/C11H12N4O/c1-15(2)11(16)7-10-12-8-5-3-4-6-9(8)13-14-10/h3-6H,7H2,1-2H3
InChI Key:
YAUWGOOSYHTCFA-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Cc1nnc2c(n1)cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.244g/mol
Monoisotopic Mass:
216.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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