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1799628-14-0 | 1H-Pyrrole-2-carbonitrile, 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1799628-14-0 Catalog No: AG0021IS MDL No:
Product Description
Catalog Number:
AG0021IS
Chemical Name:
1H-Pyrrole-2-carbonitrile, 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1799628-14-0
Molecular Formula:
C12H17BN2O2
Molecular Weight:
232.0866
IUPAC Name:
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile
InChI:
InChI=1S/C12H17BN2O2/c1-11(2)12(3,4)17-13(16-11)9-6-10(7-14)15(5)8-9/h6,8H,1-5H3
InChI Key:
JYUNTMLNIMKARP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cn1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.138g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.09g/mol
Monoisotopic Mass:
232.138g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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