Home Boronic Acids 1000802-50-5
1000802-50-5,MFCD04107936
Catalog No.:AA0000SI
1000802-50-5 | 1H-Pyrazole-1-propanol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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100mg
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250mg
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0000SI
Chemical Name:
1H-Pyrazole-1-propanol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1000802-50-5
Molecular Formula:
C12H21BN2O3
Molecular Weight:
252.1177
MDL Number:
MFCD04107936
IUPAC Name:
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-ol
InChI:
InChI=1S/C12H21BN2O3/c1-11(2)12(3,4)18-13(17-11)10-8-14-15(9-10)6-5-7-16/h8-9,16H,5-7H2,1-4H3
InChI Key:
ZVUJZEKDRFLYFL-UHFFFAOYSA-N
SMILES:
OCCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.165g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.121g/mol
Monoisotopic Mass:
252.165g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1000802-50-5 
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-1-ol 
AS-51717 
CS-0051564 
A1-05819 
1H-Pyrazole-1-propanol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]propan-1-ol 
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole-1-propanol 
3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-1-ol 
(1-(3-Hydroxypropyl)-1H-pyrazol-4-yl)boronic acid pinacol ester 
SCHEMBL1854359 
ZVUJZEKDRFLYFL-UHFFFAOYSA-N 
KS-000004MK 
MFCD22570729 
ZINC170005422 
SB12190 
Literature
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