Home Boronic acids 2-Bromomethyl-4-cyanophenylboronic acid pinacol ester

2-Bromomethyl-4-cyanophenylboronic acid pinacol ester

CAS No.:
1030832-26-8
Catalog Number:
AG00H9YG
Molecular Formula:
C14H17BBrNO2
Molecular Weight:
322.0053
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
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United States
$1875
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Product Description
Catalog Number:
AG00H9YG
Chemical Name:
2-Bromomethyl-4-cyanophenylboronic acid pinacol ester
CAS Number:
1030832-26-8
Molecular Formula:
C14H17BBrNO2
Molecular Weight:
322.0053
MDL Number:
MFCD22494888
IUPAC Name:
3-(bromomethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C14H17BBrNO2/c1-13(2)14(3,4)19-15(18-13)12-6-5-10(9-17)7-11(12)8-16/h5-7H,8H2,1-4H3
InChI Key:
LHTGMALCZBIYGJ-UHFFFAOYSA-N
SMILES:
BrCc1cc(C#N)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.054g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.009g/mol
Monoisotopic Mass:
321.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties