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Home > Boronic Acids > 874289-49-3
874289-49-3 | (2-Fluoro-5-(isopropylcarbamoyl)phenyl)boronic acid
CAS No: 874289-49-3 Catalog No: AG004FYW MDL No:MFCD08235103
Product Description
Catalog Number:
AG004FYW
Chemical Name:
(2-Fluoro-5-(isopropylcarbamoyl)phenyl)boronic acid
CAS Number:
874289-49-3
Molecular Formula:
C10H13BFNO3
Molecular Weight:
225.0245
MDL Number:
MFCD08235103
IUPAC Name:
[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BFNO3/c1-6(2)13-10(14)7-3-4-9(12)8(5-7)11(15)16/h3-6,15-16H,1-2H3,(H,13,14)
InChI Key:
NCRUGKRIPMSQHI-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1ccc(c(c1)B(O)O)F)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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