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871125-83-6 | 7-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CAS No: 871125-83-6 Catalog No: AG0036DG MDL No:MFCD07783020
Product Description
Catalog Number:
AG0036DG
Chemical Name:
7-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CAS Number:
871125-83-6
Molecular Formula:
C15H17BClNO2
Molecular Weight:
289.5650
MDL Number:
MFCD07783020
IUPAC Name:
7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
InChI:
InChI=1S/C15H17BClNO2/c1-14(2)15(3,4)20-16(19-14)12-7-8-18-13-9-10(17)5-6-11(12)13/h5-9H,1-4H3
InChI Key:
GZDUYRAAWRRVEY-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.566g/mol
Monoisotopic Mass:
289.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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