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Home > Boronic Acids > 849776-88-1
849776-88-1 | 5-Methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS No: 849776-88-1 Catalog No: AG004UHT MDL No:MFCD06797463
Product Description
Catalog Number:
AG004UHT
Chemical Name:
5-Methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS Number:
849776-88-1
Molecular Formula:
C16H21BN2O2
Molecular Weight:
284.1611
MDL Number:
MFCD06797463
IUPAC Name:
5-methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C16H21BN2O2/c1-12-14(17-20-15(2,3)16(4,5)21-17)11-18-19(12)13-9-7-6-8-10-13/h6-11H,1-5H3
InChI Key:
XSUARWLKVRBBKT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1C)c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.17g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.166g/mol
Monoisotopic Mass:
284.17g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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