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Home > Boronic Acids > 1154762-01-2
1154762-01-2 | Boronic acid, B-[2,3-difluoro-4-(1-methylethoxy)phenyl]-
CAS No: 1154762-01-2 Catalog No: AG000G1J MDL No:MFCD19237183
Product Description
Catalog Number:
AG000G1J
Chemical Name:
Boronic acid, B-[2,3-difluoro-4-(1-methylethoxy)phenyl]-
CAS Number:
1154762-01-2
Molecular Formula:
C9H11BF2O3
Molecular Weight:
215.9896
MDL Number:
MFCD19237183
IUPAC Name:
(2,3-difluoro-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BF2O3/c1-5(2)15-7-4-3-6(10(13)14)8(11)9(7)12/h3-5,13-14H,1-2H3
InChI Key:
CYPWTSVBLPSQDE-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(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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