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Home > Boronic Acids > 1451390-92-3
1451390-92-3 | (3,4-difluoro-2-isopropoxyphenyl)boronic acid
CAS No: 1451390-92-3 Catalog No: AG01DE03 MDL No:MFCD17011989
Product Description
Catalog Number:
AG01DE03
Chemical Name:
(3,4-difluoro-2-isopropoxyphenyl)boronic acid
CAS Number:
1451390-92-3
Molecular Formula:
C9H11BF2O3
Molecular Weight:
215.9896
MDL Number:
MFCD17011989
IUPAC Name:
(3,4-difluoro-2-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BF2O3/c1-5(2)15-9-6(10(13)14)3-4-7(11)8(9)12/h3-5,13-14H,1-2H3
InChI Key:
WJQIJLJPCDRBSG-UHFFFAOYSA-N
SMILES:
CC(Oc1c(ccc(c1F)F)B(O)O)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.991g/mol
Monoisotopic Mass:
216.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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