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Home > Boronic Acids > 756520-75-9
756520-75-9 | 1H-Pyrazole, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 756520-75-9 Catalog No: AG00ICNI MDL No:MFCD22415359
Product Description
Catalog Number:
AG00ICNI
Chemical Name:
1H-Pyrazole, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
756520-75-9
Molecular Formula:
C15H19BN2O2
Molecular Weight:
270.1346
MDL Number:
MFCD22415359
IUPAC Name:
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole
InChI:
InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)13-7-5-11(6-8-13)12-9-17-18-10-12/h5-10H,1-4H3,(H,17,18)
InChI Key:
OWISFFAMZILFMN-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1c[nH]nc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.139g/mol
Monoisotopic Mass:
270.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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