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116470-68-9 | 1,2,3-Benzotriazin-4(3H)-one, 3-(1-ethoxyethyl)-
CAS No: 116470-68-9 Catalog No: AG000CKM MDL No:
Product Description
Catalog Number:
AG000CKM
Chemical Name:
1,2,3-Benzotriazin-4(3H)-one, 3-(1-ethoxyethyl)-
CAS Number:
116470-68-9
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
3-(1-ethoxyethyl)-1,2,3-benzotriazin-4-one
InChI:
InChI=1S/C11H13N3O2/c1-3-16-8(2)14-11(15)9-6-4-5-7-10(9)12-13-14/h4-8H,3H2,1-2H3
InChI Key:
YTARTKCBUDSNBM-UHFFFAOYSA-N
SMILES:
CCOC(n1nnc2c(c1=O)cccc2)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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