Home Halogens 2-bromo-6-cyanobenzyl acetate

2-bromo-6-cyanobenzyl acetate

CAS No.:
1379323-90-6
Catalog Number:
AG01DHS2
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$147
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Product Description
Catalog Number:
AG01DHS2
Chemical Name:
2-bromo-6-cyanobenzyl acetate
CAS Number:
1379323-90-6
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD18206367
IUPAC Name:
(2-bromo-6-cyanophenyl)methyl acetate
InChI:
InChI=1S/C10H8BrNO2/c1-7(13)14-6-9-8(5-12)3-2-4-10(9)11/h2-4H,6H2,1H3
InChI Key:
JTQPRMQJQCNENN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1COC(=O)C)Br
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties