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Home > Boronic Acids > 942920-11-8
942920-11-8 | 1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 942920-11-8 Catalog No: AG00II0W MDL No:
Product Description
Catalog Number:
AG00II0W
Chemical Name:
1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
942920-11-8
Molecular Formula:
C17H22BN3O4
Molecular Weight:
343.1853
IUPAC Name:
1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C17H22BN3O4/c1-6-20-11-14(18-24-16(2,3)17(4,5)25-18)15(19-20)12-7-9-13(10-8-12)21(22)23/h7-11H,6H2,1-5H3
InChI Key:
BNJLOSTYUZRZME-UHFFFAOYSA-N
SMILES:
CCn1cc(c(n1)c1ccc(cc1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.17g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.19g/mol
Monoisotopic Mass:
343.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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