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Home > Boronic Acids > 586389-90-4
586389-90-4 | (2-Fluoro-4-isopropoxyphenyl)boronic acid
CAS No: 586389-90-4 Catalog No: AG00EKP6 MDL No:MFCD17011998
Product Description
Catalog Number:
AG00EKP6
Chemical Name:
(2-Fluoro-4-isopropoxyphenyl)boronic acid
CAS Number:
586389-90-4
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
MDL Number:
MFCD17011998
IUPAC Name:
(2-fluoro-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BFO3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,12-13H,1-2H3
InChI Key:
UFYDUWGUTFJYHC-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(c1)F)B(O)O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198g/mol
Monoisotopic Mass:
198.086g/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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