Home Halogens Methyl 5-bromo-2-(cyanomethyl)benzoate

Methyl 5-bromo-2-(cyanomethyl)benzoate

CAS No.:
1437794-65-4
Catalog Number:
AG00AQI1
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$375
- +
1g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00AQI1
Chemical Name:
Methyl 5-bromo-2-(cyanomethyl)benzoate
CAS Number:
1437794-65-4
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD22570383
IUPAC Name:
methyl 5-bromo-2-(cyanomethyl)benzoate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)9-6-8(11)3-2-7(9)4-5-12/h2-3,6H,4H2,1H3
InChI Key:
DOONJSGQWUACSJ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1C(=O)OC)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:
2.1  
Properties