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Home > Boronic Acids > 850567-35-0

850567-35-0

850567-35-0 | (3-((4-Fluorophenyl)carbamoyl)phenyl)boronic acid

CAS No: 850567-35-0 Catalog No: AG008GTS MDL No:MFCD04115712

Product Description

Catalog Number:
AG008GTS
Chemical Name:
(3-((4-Fluorophenyl)carbamoyl)phenyl)boronic acid
CAS Number:
850567-35-0
Molecular Formula:
C13H11BFNO3
Molecular Weight:
259.0407
MDL Number:
MFCD04115712
IUPAC Name:
[3-[(4-fluorophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BFNO3/c15-11-4-6-12(7-5-11)16-13(17)9-2-1-3-10(8-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key:
CKFWDDBBHPLQCY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NC(=O)c1cccc(c1)B(O)O

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.082g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.043g/mol
Monoisotopic Mass:
259.082g/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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