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96478-09-0 | 3-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-hydroxyphenethyl methacrylate
CAS No: 96478-09-0 Catalog No: AG003G8V MDL No:MFCD01080772
Product Description
Catalog Number:
AG003G8V
Chemical Name:
3-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-hydroxyphenethyl methacrylate
CAS Number:
96478-09-0
Molecular Formula:
C18H17N3O3
Molecular Weight:
323.3459
MDL Number:
MFCD01080772
IUPAC Name:
2-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]ethyl 2-methylprop-2-enoate
InChI:
InChI=1S/C18H17N3O3/c1-12(2)18(23)24-10-9-13-7-8-17(22)16(11-13)21-19-14-5-3-4-6-15(14)20-21/h3-8,11,22H,1,9-10H2,2H3
InChI Key:
VCYCUECVHJJFIQ-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCCc1ccc(c(c1)n1nc2c(n1)cccc2)O
EC Number:
424-240-4
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.352g/mol
Monoisotopic Mass:
323.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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