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953040-54-5 | 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrrole
CAS No: 953040-54-5 Catalog No: AG0065O1 MDL No:MFCD13182200
Product Description
Catalog Number:
AG0065O1
Chemical Name:
1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrrole
CAS Number:
953040-54-5
Molecular Formula:
C11H18BNO2
Molecular Weight:
207.0771
MDL Number:
MFCD13182200
IUPAC Name:
1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
InChI:
InChI=1S/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-7-13(5)8-9/h6-8H,1-5H3
InChI Key:
SYAMJGBBLFTQTK-UHFFFAOYSA-N
SMILES:
Cn1ccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.143g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.08g/mol
Monoisotopic Mass:
207.143g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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