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669694-71-7 | Isothiazole, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-(phenylmethoxy)-
CAS No: 669694-71-7 Catalog No: AG006N4L MDL No:
Product Description
Catalog Number:
AG006N4L
Chemical Name:
Isothiazole, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-(phenylmethoxy)-
CAS Number:
669694-71-7
Molecular Formula:
C15H18BNO3S
Molecular Weight:
303.1843
IUPAC Name:
5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-phenylmethoxy-1,2-thiazole
InChI:
InChI=1S/C15H18BNO3S/c1-15(2)10-19-16(20-11-15)13-8-14(17-21-13)18-9-12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3
InChI Key:
DLRPJCVGGPRCRD-UHFFFAOYSA-N
SMILES:
CC1(C)COB(OC1)c1snc(c1)OCc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.183g/mol
Monoisotopic Mass:
303.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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