Home Boronic Acids 238088-16-9
238088-16-9,MFCD09953480
Catalog No.:AA003J93
238088-16-9 | 3-Cyano-1-propylboronic acid pinacol ester
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250mg
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1g
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Technical Information
Catalog Number:
AA003J93
Chemical Name:
3-Cyano-1-propylboronic acid pinacol ester
CAS Number:
238088-16-9
Molecular Formula:
C10H18BNO2
Molecular Weight:
195.0664
MDL Number:
MFCD09953480
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile
InChI:
InChI=1S/C10H18BNO2/c1-9(2)10(3,4)14-11(13-9)7-5-6-8-12/h5-7H2,1-4H3
InChI Key:
LVMSRWXPZLRTIC-UHFFFAOYSA-N
SMILES:
N#CCCCB1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.143g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.069g/mol
Monoisotopic Mass:
195.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
238088-16-9 
3-Cyano-1-propylboronic acid pinacol ester 
LVMSRWXPZLRTIC-UHFFFAOYSA-N 
ZX-AP010516 
ANW-42953 
FCH920274 
PC7178 
AKOS006345197 
ZINC169743465 
RTR-011028 
ACM238088169 
TR-011028 
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile 
K-6457 
J-015222 
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)butanenitrile 
CID11183176 
3-Cyanoprop-1-ylboronic acid, pinacol ester 
MFCD09953480 
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)butyronitrile 
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile 
1,3,2-Dioxaborolane-2-butanenitrile, 4,4,5,5-tetramethyl- 
3-Cyano-1-propylboronic acid pinacol ester, 97% 
CTK8B3694 
DTXSID00457934 
Literature
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