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Home Boronic acids 2-Cyano-4-trifluoromethylphenylboronic acid neopentyl glycol ester

2-Cyano-4-trifluoromethylphenylboronic acid neopentyl glycol ester

CAS No.:
883898-98-4
Catalog Number:
AG008D65
Molecular Formula:
C13H13BF3NO2
Molecular Weight:
283.0540
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$125
- +
250mg
95%
In Stock USA
United States
$250
- +
1g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG008D65
Chemical Name:
2-Cyano-4-trifluoromethylphenylboronic acid neopentyl glycol ester
CAS Number:
883898-98-4
Molecular Formula:
C13H13BF3NO2
Molecular Weight:
283.0540
MDL Number:
MFCD08689554
IUPAC Name:
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C13H13BF3NO2/c1-12(2)7-19-14(20-8-12)11-4-3-10(13(15,16)17)5-9(11)6-18/h3-5H,7-8H2,1-2H3
InChI Key:
VJLXENOHERNTEB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1B1OCC(CO1)(C)C)C(F)(F)F
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.099g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.057g/mol
Monoisotopic Mass:
283.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties