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Home > Boronic Acids > 517920-57-9
517920-57-9 | Benzonitrile, 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-
CAS No: 517920-57-9 Catalog No: AG00I998 MDL No:MFCD22577285
Product Description
Catalog Number:
AG00I998
Chemical Name:
Benzonitrile, 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-
CAS Number:
517920-57-9
Molecular Formula:
C14H18BNO2
Molecular Weight:
243.1092
MDL Number:
MFCD22577285
IUPAC Name:
3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzonitrile
InChI:
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)9-11-6-5-7-12(8-11)10-16/h5-8H,9H2,1-4H3
InChI Key:
KSRQVEBUMGQLQE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CB1OC(C(O1)(C)C)(C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.113g/mol
Monoisotopic Mass:
243.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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