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Home > Boronic Acids > 913198-23-9
913198-23-9 | (4-((4-(trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid
CAS No: 913198-23-9 Catalog No: AG01DDKH MDL No:MFCD28384299
Product Description
Catalog Number:
AG01DDKH
Chemical Name:
(4-((4-(trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid
CAS Number:
913198-23-9
Molecular Formula:
C14H11BF3NO4
Molecular Weight:
325.0476
MDL Number:
MFCD28384299
IUPAC Name:
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H11BF3NO4/c16-14(17,18)23-12-7-5-11(6-8-12)19-13(20)9-1-3-10(4-2-9)15(21)22/h1-8,21-22H,(H,19,20)
InChI Key:
WDFVWQJPYTYGOT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)Nc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
392
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
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