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Home > Boronic Acids > 1116681-98-1
1116681-98-1 | 4-Chloro-2,3-difluorophenylboronic acid, pinacol ester
CAS No: 1116681-98-1 Catalog No: AG00947H MDL No:MFCD16659094
Product Description
Catalog Number:
AG00947H
Chemical Name:
4-Chloro-2,3-difluorophenylboronic acid, pinacol ester
CAS Number:
1116681-98-1
Molecular Formula:
C12H14BClF2O2
Molecular Weight:
274.4992
MDL Number:
MFCD16659094
IUPAC Name:
2-(4-chloro-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H14BClF2O2/c1-11(2)12(3,4)18-13(17-11)7-5-6-8(14)10(16)9(7)15/h5-6H,1-4H3
InChI Key:
KERWHSMECDFMFY-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(c(c1F)F)Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.499g/mol
Monoisotopic Mass:
274.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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