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Home > Boronic Acids > 867164-54-3
867164-54-3 | 2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CAS No: 867164-54-3 Catalog No: AG00IE6X MDL No:MFCD22126087
Product Description
Catalog Number:
AG00IE6X
Chemical Name:
2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CAS Number:
867164-54-3
Molecular Formula:
C21H22BNO2
Molecular Weight:
331.2159
MDL Number:
MFCD22126087
IUPAC Name:
2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
InChI:
InChI=1S/C21H22BNO2/c1-20(2)21(3,4)25-22(24-20)17-12-10-16-11-13-18(23-19(16)14-17)15-8-6-5-7-9-15/h5-14H,1-4H3
InChI Key:
VOQQQNUKCRGZCR-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)nc(cc2)c1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.222g/mol
Monoisotopic Mass:
331.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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