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19226-31-4 | Benzoic acid, anhydride with N-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)benzenecarboximidic acid
CAS No: 19226-31-4 Catalog No: AG002FSM MDL No:
Product Description
Catalog Number:
AG002FSM
Chemical Name:
Benzoic acid, anhydride with N-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)benzenecarboximidic acid
CAS Number:
19226-31-4
Molecular Formula:
C18H16N4O2
Molecular Weight:
320.3452
IUPAC Name:
[N-(4,5-dimethyltriazol-1-yl)-C-phenylcarbonimidoyl] benzoate
InChI:
InChI=1S/C18H16N4O2/c1-13-14(2)22(21-19-13)20-17(15-9-5-3-6-10-15)24-18(23)16-11-7-4-8-12-16/h3-12H,1-2H3
InChI Key:
MZBTYPBDLLSKQZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC(=Nn1nnc(c1C)C)c1ccccc1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.352g/mol
Monoisotopic Mass:
320.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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