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Home Boronic acids 3-Chloro-2-cyanophenylboronic acid neopentyl glycol ester

3-Chloro-2-cyanophenylboronic acid neopentyl glycol ester

CAS No.:
883899-06-7
Catalog Number:
AG003GZU
Molecular Formula:
C12H13BClNO2
Molecular Weight:
249.5011
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$107
- +
5g
98%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG003GZU
Chemical Name:
3-Chloro-2-cyanophenylboronic acid neopentyl glycol ester
CAS Number:
883899-06-7
Molecular Formula:
C12H13BClNO2
Molecular Weight:
249.5011
MDL Number:
MFCD08669560
IUPAC Name:
2-chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
InChI:
InChI=1S/C12H13BClNO2/c1-12(2)7-16-13(17-8-12)10-4-3-5-11(14)9(10)6-15/h3-5H,7-8H2,1-2H3
InChI Key:
DILJKRGCLPAOLL-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1Cl)B1OCC(CO1)(C)C
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.073g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.501g/mol
Monoisotopic Mass:
249.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties