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Home > Boronic Acids > 874289-16-4
874289-16-4 | (3-Fluoro-4-(isopropylcarbamoyl)phenyl)boronic acid
CAS No: 874289-16-4 Catalog No: AG004FZ0 MDL No:MFCD08436040
Product Description
Catalog Number:
AG004FZ0
Chemical Name:
(3-Fluoro-4-(isopropylcarbamoyl)phenyl)boronic acid
CAS Number:
874289-16-4
Molecular Formula:
C10H13BFNO3
Molecular Weight:
225.0245
MDL Number:
MFCD08436040
IUPAC Name:
[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BFNO3/c1-6(2)13-10(14)8-4-3-7(11(15)16)5-9(8)12/h3-6,15-16H,1-2H3,(H,13,14)
InChI Key:
DZWRVLZSUCBLOK-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1ccc(cc1F)B(O)O)C
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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