Home Carbonyls Boronic acid,B-[4-fluoro-3-[[(2-methylpropyl)amino]carbonyl]phenyl]-

Boronic acid,B-[4-fluoro-3-[[(2-methylpropyl)amino]carbonyl]phenyl]-

CAS No.:
2096332-25-9
Catalog Number:
AG01FNSI
Molecular Formula:
C11H15BFNO3
Molecular Weight:
239.0511
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Product Description
Catalog Number:
AG01FNSI
Chemical Name:
Boronic acid,B-[4-fluoro-3-[[(2-methylpropyl)amino]carbonyl]phenyl]-
CAS Number:
2096332-25-9
Molecular Formula:
C11H15BFNO3
Molecular Weight:
239.0511
IUPAC Name:
[4-fluoro-3-(2-methylpropylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BFNO3/c1-7(2)6-14-11(15)9-5-8(12(16)17)3-4-10(9)13/h3-5,7,16-17H,6H2,1-2H3,(H,14,15)
InChI Key:
VEMUZEFNPKXHHF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(=O)NCC(C)C)F)O
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.113g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
239.053g/mol
Monoisotopic Mass:
239.113g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties