Home Boronic acids (3-((3-(trifluoroMethoxy)phenyl)carbaMoyl)phenyl)boronic acid

(3-((3-(trifluoroMethoxy)phenyl)carbaMoyl)phenyl)boronic acid

CAS No.:
1704069-56-6
Catalog Number:
AG00AR7R
Molecular Formula:
C14H14BNO4
Molecular Weight:
271.0763
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Product Description
Catalog Number:
AG00AR7R
Chemical Name:
(3-((3-(trifluoroMethoxy)phenyl)carbaMoyl)phenyl)boronic acid
CAS Number:
1704069-56-6
Molecular Formula:
C14H14BNO4
Molecular Weight:
271.0763
MDL Number:
MFCD28384306
IUPAC Name:
[4-[(2-methoxyphenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H14BNO4/c1-20-13-5-3-2-4-12(13)16-14(17)10-6-8-11(9-7-10)15(18)19/h2-9,18-19H,1H3,(H,16,17)
InChI Key:
BICIYGVMBIEAEG-UHFFFAOYSA-N
SMILES:
COc1ccccc1NC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.102g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
271.079g/mol
Monoisotopic Mass:
271.102g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties