Home Halogens Methyl 2-(bromomethyl)-5-cyanobenzoate

Methyl 2-(bromomethyl)-5-cyanobenzoate

CAS No.:
421551-82-8
Catalog Number:
AG00CKXS
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$119
- +
1g
98%
In Stock USA
United States
$313
- +
5g
98%
In Stock USA
United States
$938
- +
10g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00CKXS
Chemical Name:
Methyl 2-(bromomethyl)-5-cyanobenzoate
CAS Number:
421551-82-8
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD18251143
IUPAC Name:
methyl 2-(bromomethyl)-5-cyanobenzoate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)9-4-7(6-12)2-3-8(9)5-11/h2-4H,5H2,1H3
InChI Key:
TWNPQXWVXHPIJV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C#N)ccc1CBr
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