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872044-91-2 | Borinic acid, bis(3-chlorophenyl)-, 2-(1H-imidazol-4-yl)ethyl ester
CAS No: 872044-91-2 Catalog No: AG004SKI MDL No:
Product Description
Catalog Number:
AG004SKI
Chemical Name:
Borinic acid, bis(3-chlorophenyl)-, 2-(1H-imidazol-4-yl)ethyl ester
CAS Number:
872044-91-2
Molecular Formula:
C17H15BCl2N2O
Molecular Weight:
345.0308
IUPAC Name:
bis(3-chlorophenyl)-[2-(1H-imidazol-5-yl)ethoxy]borane
InChI:
InChI=1S/C17H15BCl2N2O/c19-15-5-1-3-13(9-15)18(14-4-2-6-16(20)10-14)23-8-7-17-11-21-12-22-17/h1-6,9-12H,7-8H2,(H,21,22)
InChI Key:
FRQTWZASHCDQKX-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)B(c1cccc(c1)Cl)OCCc1c[nH]cn1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.065g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.03g/mol
Monoisotopic Mass:
344.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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