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Home > Boronic Acids > 685103-98-4
685103-98-4 | 4-Isoquinolineboronic acid pinacol ester
CAS No: 685103-98-4 Catalog No: AG00FAHB MDL No:MFCD05663891
Product Description
Catalog Number:
AG00FAHB
Chemical Name:
4-Isoquinolineboronic acid pinacol ester
CAS Number:
685103-98-4
Molecular Formula:
C15H18BNO2
Molecular Weight:
255.1199
MDL Number:
MFCD05663891
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
InChI:
InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3
InChI Key:
LOMKRPABAXIQJL-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cncc2c1cccc2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.124g/mol
Monoisotopic Mass:
255.143g/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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