Home Halogens Methyl 2-(3-bromophenyl)-2-cyanoacetate

Methyl 2-(3-bromophenyl)-2-cyanoacetate

CAS No.:
895579-16-5
Catalog Number:
AG00IFRL
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$200
- +
5g
98%
In Stock USA
United States
$600
- +
10g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00IFRL
Chemical Name:
Methyl 2-(3-bromophenyl)-2-cyanoacetate
CAS Number:
895579-16-5
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD19329147
IUPAC Name:
methyl 2-(3-bromophenyl)-2-cyanoacetate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)9(6-12)7-3-2-4-8(11)5-7/h2-5,9H,1H3
InChI Key:
AZNZNBAMGQKRKI-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)Br)C(=O)OC
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties