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305862-36-6 | Methyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-phenylacetate
CAS No: 305862-36-6 Catalog No: AG01F8C2 MDL No:MFCD02114786
Product Description
Catalog Number:
AG01F8C2
Chemical Name:
Methyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-phenylacetate
CAS Number:
305862-36-6
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD02114786
IUPAC Name:
methyl 2-(benzotriazol-1-yl)-2-phenylacetate
InChI:
InChI=1S/C15H13N3O2/c1-20-15(19)14(11-7-3-2-4-8-11)18-13-10-6-5-9-12(13)16-17-18/h2-10,14H,1H3
InChI Key:
KDGUQXDGGLYOHX-UHFFFAOYSA-N
SMILES:
COC(=O)C(n1nnc2c1cccc2)c1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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