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Home > Boronic Acids > 913835-42-4
913835-42-4 | 4-(2-TRIFLUOROMETHYLPHENYLCARBAMOYL)PHENYLBORONIC ACID
CAS No: 913835-42-4 Catalog No: AG00GSYQ MDL No:MFCD09027216
Product Description
Catalog Number:
AG00GSYQ
Chemical Name:
4-(2-TRIFLUOROMETHYLPHENYLCARBAMOYL)PHENYLBORONIC ACID
CAS Number:
913835-42-4
Molecular Formula:
C14H11BF3NO3
Molecular Weight:
309.0482
MDL Number:
MFCD09027216
IUPAC Name:
[4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H11BF3NO3/c16-14(17,18)11-3-1-2-4-12(11)19-13(20)9-5-7-10(8-6-9)15(21)22/h1-8,21-22H,(H,19,20)
InChI Key:
GMSZJSZMTXJQRP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)Nc1ccccc1C(F)(F)F
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.051g/mol
Monoisotopic Mass:
309.078g/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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