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461451-63-8 | 5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 461451-63-8 Catalog No: AG003MQD MDL No:MFCD09260444
Product Description
Catalog Number:
AG003MQD
Chemical Name:
5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
461451-63-8
Molecular Formula:
C13H15BFNO2
Molecular Weight:
247.0731
MDL Number:
MFCD09260444
IUPAC Name:
5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(15)7-9(11)8-16/h5-7H,1-4H3
InChI Key:
IMEIHRCZDURBEC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.076g/mol
Monoisotopic Mass:
247.118g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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