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Home > Boronic Acids > 874219-21-3
874219-21-3 | (4-Fluoro-3-(isopropylcarbamoyl);phenyl);boronic acid
CAS No: 874219-21-3 Catalog No: AG004J9Q MDL No:MFCD08235040
Product Description
Catalog Number:
AG004J9Q
Chemical Name:
(4-Fluoro-3-(isopropylcarbamoyl);phenyl);boronic acid
CAS Number:
874219-21-3
Molecular Formula:
C10H13BFNO3
Molecular Weight:
225.0245
MDL Number:
MFCD08235040
IUPAC Name:
[4-fluoro-3-(propan-2-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BFNO3/c1-6(2)13-10(14)8-5-7(11(15)16)3-4-9(8)12/h3-6,15-16H,1-2H3,(H,13,14)
InChI Key:
KPQHVEASBVESSL-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(=O)NC(C)C)F)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.026g/mol
Monoisotopic Mass:
225.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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