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Home > Boronic Acids > 1201678-44-5
1201678-44-5 | 5-Cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole
CAS No: 1201678-44-5 Catalog No: AG00HF9T MDL No:MFCD18250642
Product Description
Catalog Number:
AG00HF9T
Chemical Name:
5-Cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole
CAS Number:
1201678-44-5
Molecular Formula:
C12H19BN2O2
Molecular Weight:
234.1025
MDL Number:
MFCD18250642
IUPAC Name:
3-cyclopropyl-5-(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)10-7-9(14-15-10)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,14,15)
InChI Key:
PVHQQQLKKQTUQS-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1[nH]nc(c1)C1CC1
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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