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1876473-38-9

1876473-38-9 | 1-tert-butyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

CAS No: 1876473-38-9 Catalog No: AG01BIO8 MDL No:MFCD22543964

Product Description

Catalog Number:
AG01BIO8
Chemical Name:
1-tert-butyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1876473-38-9
Molecular Formula:
C13H23BN2O2
Molecular Weight:
250.1449
MDL Number:
MFCD22543964
IUPAC Name:
1-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C13H23BN2O2/c1-11(2,3)16-10(8-9-15-16)14-17-12(4,5)13(6,7)18-14/h8-9H,1-7H3
InChI Key:
KOOCTSXNQOWSBL-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccnn1C(C)(C)C

Properties

Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.185g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.149g/mol
Monoisotopic Mass:
250.185g/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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