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Home > Boronic Acids > 1351985-05-1
1351985-05-1 | 2,4-Difluoro-3-methylbenzeneboronic acid pinacol ester
CAS No: 1351985-05-1 Catalog No: AG00HTY9 MDL No:MFCD23098819
Product Description
Catalog Number:
AG00HTY9
Chemical Name:
2,4-Difluoro-3-methylbenzeneboronic acid pinacol ester
CAS Number:
1351985-05-1
Molecular Formula:
C13H17BF2O2
Molecular Weight:
254.0807
MDL Number:
MFCD23098819
IUPAC Name:
2-(2,4-difluoro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H17BF2O2/c1-8-10(15)7-6-9(11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChI Key:
HDAKNAMXPKYUCU-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(c(c1F)C)F
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.084g/mol
Monoisotopic Mass:
254.129g/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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