Home Halogens Methyl 2-(4-bromophenyl)-2-cyanoacetate

Methyl 2-(4-bromophenyl)-2-cyanoacetate

CAS No.:
1218950-96-9
Catalog Number:
AG00HGHX
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG00HGHX
Chemical Name:
Methyl 2-(4-bromophenyl)-2-cyanoacetate
CAS Number:
1218950-96-9
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD19329148
IUPAC Name:
methyl 2-(4-bromophenyl)-2-cyanoacetate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)9(6-12)7-2-4-8(11)5-3-7/h2-5,9H,1H3
InChI Key:
QWXPRWNVJMNMKQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)Br)C#N
Properties
Complexity:
250  
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