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253668-49-4 | Methyl 2-(1H-1,2,3-benzotriazole-1-carbonyl)benzoate
CAS No: 253668-49-4 Catalog No: AG01F8LS MDL No:
Product Description
Catalog Number:
AG01F8LS
Chemical Name:
Methyl 2-(1H-1,2,3-benzotriazole-1-carbonyl)benzoate
CAS Number:
253668-49-4
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
IUPAC Name:
methyl 2-(benzotriazole-1-carbonyl)benzoate
InChI:
InChI=1S/C15H11N3O3/c1-21-15(20)11-7-3-2-6-10(11)14(19)18-13-9-5-4-8-12(13)16-17-18/h2-9H,1H3
InChI Key:
RVRODUVZYVOTKV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(=O)n1nnc2c1cccc2
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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