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Home > Boronic Acids > 1642844-61-8
1642844-61-8 | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile
CAS No: 1642844-61-8 Catalog No: AG00AR05 MDL No:MFCD16996378
Product Description
Catalog Number:
AG00AR05
Chemical Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile
CAS Number:
1642844-61-8
Molecular Formula:
C11H14BNO2S
Molecular Weight:
235.1104
MDL Number:
MFCD16996378
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile
InChI:
InChI=1S/C11H14BNO2S/c1-10(2)11(3,4)15-12(14-10)8-5-9(6-13)16-7-8/h5,7H,1-4H3
InChI Key:
TUJOBQFUKFUIDF-UHFFFAOYSA-N
SMILES:
N#Cc1scc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.108g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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