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957345-32-3

957345-32-3 | 3-cyclopropyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

CAS No: 957345-32-3 Catalog No: AG00IJF5 MDL No:MFCD27936163

Product Description

Catalog Number:
AG00IJF5
Chemical Name:
3-cyclopropyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
957345-32-3
Molecular Formula:
C12H19BN2O2
Molecular Weight:
234.1025
MDL Number:
MFCD27936163
IUPAC Name:
5-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
InChI:
InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-7-14-15-10(9)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,14,15)
InChI Key:
FYIYXDOSMNRBNT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1c[nH]nc1C1CC1

Properties

Complexity:
302  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
234.106g/mol
Monoisotopic Mass:
234.154g/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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