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Home > Boronic Acids > 1704069-55-5
1704069-55-5 | (3-((3-(Trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid
CAS No: 1704069-55-5 Catalog No: AG00ARU6 MDL No:MFCD28384305
Product Description
Catalog Number:
AG00ARU6
Chemical Name:
(3-((3-(Trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid
CAS Number:
1704069-55-5
Molecular Formula:
C14H11BF3NO4
Molecular Weight:
325.0476
MDL Number:
MFCD28384305
IUPAC Name:
[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H11BF3NO4/c16-14(17,18)23-12-6-2-5-11(8-12)19-13(20)9-3-1-4-10(7-9)15(21)22/h1-8,21-22H,(H,19,20)
InChI Key:
YYUDHKUGUSYLJD-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)Nc1cccc(c1)OC(F)(F)F
Properties
Complexity:
408
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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