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1000801-78-4 | 1H-Pyrazole, 1-(2-propen-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1000801-78-4 Catalog No: AG0000VC MDL No:MFCD16659011
Product Description
Catalog Number:
AG0000VC
Chemical Name:
1H-Pyrazole, 1-(2-propen-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1000801-78-4
Molecular Formula:
C12H19BN2O2
Molecular Weight:
234.1025
MDL Number:
MFCD16659011
IUPAC Name:
1-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C12H19BN2O2/c1-6-7-15-9-10(8-14-15)13-16-11(2,3)12(4,5)17-13/h6,8-9H,1,7H2,2-5H3
InChI Key:
RHFBKZWRCYFZMG-UHFFFAOYSA-N
SMILES:
C=CCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.154g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.106g/mol
Monoisotopic Mass:
234.154g/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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