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870238-67-8 | 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 870238-67-8 Catalog No: AG0033AZ MDL No:MFCD16996321
Product Description
Catalog Number:
AG0033AZ
Chemical Name:
2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
870238-67-8
Molecular Formula:
C13H15BFNO2
Molecular Weight:
247.0731
MDL Number:
MFCD16996321
IUPAC Name:
2-fluoro-4-(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)10-6-5-9(8-16)11(15)7-10/h5-7H,1-4H3
InChI Key:
DMJGKVYFBOCENL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)B1OC(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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