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Home Boronic acids (3-((4-(trifluoroMethoxy)phenyl)carbaMoyl)phenyl)boronic acid

(3-((4-(trifluoroMethoxy)phenyl)carbaMoyl)phenyl)boronic acid

CAS No.:
1704069-22-6
Catalog Number:
AG00AR7W
Molecular Formula:
C14H11BF3NO4
Molecular Weight:
325.0476
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Product Description
Catalog Number:
AG00AR7W
Chemical Name:
(3-((4-(trifluoroMethoxy)phenyl)carbaMoyl)phenyl)boronic acid
CAS Number:
1704069-22-6
Molecular Formula:
C14H11BF3NO4
Molecular Weight:
325.0476
MDL Number:
MFCD28384302
IUPAC Name:
[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H11BF3NO4/c16-14(17,18)23-12-6-4-11(5-7-12)19-13(20)9-2-1-3-10(8-9)15(21)22/h1-8,21-22H,(H,19,20)
InChI Key:
ALZWEVQTVBFWQA-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)Nc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.073g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
325.05g/mol
Monoisotopic Mass:
325.073g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties