Home Other Building Blocks 3-Bromo-5-cyanophenylacetic acid ethyl ester

3-Bromo-5-cyanophenylacetic acid ethyl ester

CAS No.:
1261835-55-5
Catalog Number:
AG00HJ5Z
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00HJ5Z
Chemical Name:
3-Bromo-5-cyanophenylacetic acid ethyl ester
CAS Number:
1261835-55-5
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
MDL Number:
MFCD18395889
IUPAC Name:
ethyl 2-(3-bromo-5-cyanophenyl)acetate
InChI:
InChI=1S/C11H10BrNO2/c1-2-15-11(14)6-8-3-9(7-13)5-10(12)4-8/h3-5H,2,6H2,1H3
InChI Key:
XBOFUZVMOZULFO-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cc(Br)cc(c1)C#N
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties