Home Halogens methyl 3-(bromomethyl)-2-cyanobenzoate

methyl 3-(bromomethyl)-2-cyanobenzoate

CAS No.:
920760-01-6
Catalog Number:
AG01A2NX
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A2NX
Chemical Name:
methyl 3-(bromomethyl)-2-cyanobenzoate
CAS Number:
920760-01-6
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD14584410
IUPAC Name:
methyl 3-(bromomethyl)-2-cyanobenzoate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)8-4-2-3-7(5-11)9(8)6-12/h2-4H,5H2,1H3
InChI Key:
HVSUMZSNMHFTQR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1C#N)CBr
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