Home Boronic Acids 214360-46-0
214360-46-0,MFCD03789262
Catalog No.:AA003I02
214360-46-0 | 3-Cyanophenylboronic acid, pinacol ester
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Purity
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1g
97%
in stock  
$10.00   $7.00
- +
5g
97%
in stock  
$33.00   $23.00
- +
25g
95%
in stock  
$122.00   $85.00
- +
100g
98%
in stock  
$405.00   $284.00
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Technical Information
Catalog Number:
AA003I02
Chemical Name:
3-Cyanophenylboronic acid, pinacol ester
CAS Number:
214360-46-0
Molecular Formula:
C13H16BNO2
Molecular Weight:
229.0826
MDL Number:
MFCD03789262
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
InChI Key:
FIGQEPXOSAFKTA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.127g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.086g/mol
Monoisotopic Mass:
229.127g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
214360-46-0 
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 
AC1MC30T 
SCHEMBL760732 
CTK7C8369 
DTXSID40375244 
FIGQEPXOSAFKTA-UHFFFAOYSA-N 
BM076 
ZXBA000058 
3-CyanophenylboronicAcidPinacolEster 
ACT11015 
KS-00000AU6 
3-Cyanophenylboronic acid pinacol ester 
ZX-AT021123 
ANW-42937 
AKOS015950762 
ZINC169743513 
AB16130 
AM62755 
AN-1724 
AS-2730 
CS-W003113 
FCH1445025 
3-Cyanophenylboronic acid, pinacol ester 
OR11008 
RTR-010050 
TRA0070809 
3-Cyanobenzeneboronic acid, pinacol ester 
ACM214360460 
BBV-42268161 
BC000251 
CC-12423 
QC-10914 
SC-20376 
MFCD03789262 
SY023527 
AB0009862 
AB1004348 
AX8014774 
DB-045579 
TR-010050 
4CH-026730 
FT-0643970 
B-7866 
MFCD03789262 (97+%) 
3-Cyanobenzeneboronic acid pinacol ester 
(3-CYANOPHENYL)BORONIC ACID PINACOL ESTER 
C-13207 
J-014061 
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 
2-(3-cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 
C13H16BNO2 
ACN-032632 
CID2760590 
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ben 
AK-61683 
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrilele, 98% - 1G 1g 
Benzonitrile, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
3-Cyanophenylboronic acid pinacol ester, 97% 
PubChem15603 
Literature
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