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Home > Boronic Acids > 864754-19-8
864754-19-8 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);-1-(2-thienylmethyl);-1H-pyrazole
CAS No: 864754-19-8 Catalog No: AG003K1U MDL No:MFCD08706027
Product Description
Catalog Number:
AG003K1U
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);-1-(2-thienylmethyl);-1H-pyrazole
CAS Number:
864754-19-8
Molecular Formula:
C14H19BN2O2S
Molecular Weight:
290.1889
MDL Number:
MFCD08706027
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(thiophen-2-ylmethyl)pyrazole
InChI:
InChI=1S/C14H19BN2O2S/c1-13(2)14(3,4)19-15(18-13)11-8-16-17(9-11)10-12-6-5-7-20-12/h5-9H,10H2,1-4H3
InChI Key:
ANSBFDYOIUZSNT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)Cc1cccs1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.188g/mol
Monoisotopic Mass:
290.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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