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Home > Boronic Acids > 1803321-00-7
1803321-00-7 | 3-Cyano-5-(trifluoromethoxy)phenylboronic acid, pinacol ester
CAS No: 1803321-00-7 Catalog No: AG00I01B MDL No:MFCD18756761
Product Description
Catalog Number:
AG00I01B
Chemical Name:
3-Cyano-5-(trifluoromethoxy)phenylboronic acid, pinacol ester
CAS Number:
1803321-00-7
Molecular Formula:
C14H15BF3NO3
Molecular Weight:
313.0800
MDL Number:
MFCD18756761
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C14H15BF3NO3/c1-12(2)13(3,4)22-15(21-12)10-5-9(8-19)6-11(7-10)20-14(16,17)18/h5-7H,1-4H3
InChI Key:
MJJRQGMWICLSNN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.083g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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