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Home > Boronic Acids > 874289-15-3

874289-15-3

874289-15-3 | (3-Fluoro-4-(propylcarbamoyl)phenyl)boronic acid

CAS No: 874289-15-3 Catalog No: AG004MGY MDL No:MFCD09258737

Product Description

Catalog Number:
AG004MGY
Chemical Name:
(3-Fluoro-4-(propylcarbamoyl)phenyl)boronic acid
CAS Number:
874289-15-3
Molecular Formula:
C10H13BFNO3
Molecular Weight:
225.0245
MDL Number:
MFCD09258737
IUPAC Name:
[3-fluoro-4-(propylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BFNO3/c1-2-5-13-10(14)8-4-3-7(11(15)16)6-9(8)12/h3-4,6,15-16H,2,5H2,1H3,(H,13,14)
InChI Key:
ZAQISMKPCBHVHR-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1ccc(cc1F)B(O)O

Properties

Complexity:
240  
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:
4  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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