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Home > Boronic Acids > 849062-04-0
849062-04-0 | (2,6-Difluoro-3-isopropoxyphenyl);boronic acid
CAS No: 849062-04-0 Catalog No: AG003G44 MDL No:MFCD07369753
Product Description
Catalog Number:
AG003G44
Chemical Name:
(2,6-Difluoro-3-isopropoxyphenyl);boronic acid
CAS Number:
849062-04-0
Molecular Formula:
C9H11BF2O3
Molecular Weight:
215.9896
MDL Number:
MFCD07369753
IUPAC Name:
(2,6-difluoro-3-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BF2O3/c1-5(2)15-7-4-3-6(11)8(9(7)12)10(13)14/h3-5,13-14H,1-2H3
InChI Key:
YMUAZQJBMFLGEI-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(c1F)B(O)O)F)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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