Home Boronic Acids 1000801-76-2
1000801-76-2,MFCD16659789
Catalog No.:AA0000SL
1000801-76-2 | 1H-Pyrazole, 1-(3-methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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1g
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5g
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$667.00
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Technical Information
Catalog Number:
AA0000SL
Chemical Name:
1H-Pyrazole, 1-(3-methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1000801-76-2
Molecular Formula:
C13H23BN2O3
Molecular Weight:
266.1443
MDL Number:
MFCD16659789
IUPAC Name:
1-(3-methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C13H23BN2O3/c1-12(2)13(3,4)19-14(18-12)11-9-15-16(10-11)7-6-8-17-5/h9-10H,6-8H2,1-5H3
InChI Key:
DTOZABIUQZZUAV-UHFFFAOYSA-N
SMILES:
COCCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.18g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.148g/mol
Monoisotopic Mass:
266.18g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1-(3-Methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
1000801-76-2 
MFCD16659789 
AKOS016005891 
ZINC169746724 
AM80912 
CS-W021222 
MP-0785 
DA-16585 
DS-13563 
OR350267 
QC-11023 
AK-38159 
AB0059958 
AX8238565 
TC-157927 
4CH-012070 
FT-0702916 
ST24021055 
Z3779 
1-(3-Methoxypropyl)-1H-pyrazole-4-boronic acid pinacol ester 
(1-(3-METHOXYPROPYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER 
1-(3-methoxypropyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1h-pyrazole 
1H-Pyrazole, 1-(3-methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
1H-Pyrazole,1-(3-methoxypropyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)- 
C13H23BN2O3 
1753-50-0 
SCHEMBL1855038 
CTK8C2878 
DTXSID00736574 
DTOZABIUQZZUAV-UHFFFAOYSA-N 
KS-00000QN1 
ANW-69182 
Literature
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