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Home Boronic acids 3-Bromo-5-cyanophenylboronic acid pinacol ester

3-Bromo-5-cyanophenylboronic acid pinacol ester

CAS No.:
479411-96-6
Catalog Number:
AG00DPSE
Molecular Formula:
C13H15BBrNO2
Molecular Weight:
307.9787
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$125
- +
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG00DPSE
Chemical Name:
3-Bromo-5-cyanophenylboronic acid pinacol ester
CAS Number:
479411-96-6
Molecular Formula:
C13H15BBrNO2
Molecular Weight:
307.9787
MDL Number:
MFCD11846465
IUPAC Name:
3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H15BBrNO2/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7H,1-4H3
InChI Key:
RXYJIHWLAKWJTK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.038g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.982g/mol
Monoisotopic Mass:
307.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties