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Home > Boronic Acids > 847818-76-2
847818-76-2 | 1-Propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS No: 847818-76-2 Catalog No: AG004RHI MDL No:MFCD12405508
Product Description
Catalog Number:
AG004RHI
Chemical Name:
1-Propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS Number:
847818-76-2
Molecular Formula:
C12H21BN2O2
Molecular Weight:
236.1183
MDL Number:
MFCD12405508
IUPAC Name:
1-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C12H21BN2O2/c1-6-9-15-10(7-8-14-15)13-16-11(2,3)12(4,5)17-13/h7-8H,6,9H2,1-5H3
InChI Key:
FLLUYNSHSZMQPN-UHFFFAOYSA-N
SMILES:
CCCn1nccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.17g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.122g/mol
Monoisotopic Mass:
236.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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