Home Halogens 2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetic acid

2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetic acid

CAS No.:
932843-98-6
Catalog Number:
AG019N22
Molecular Formula:
C11H10BrNO4
Molecular Weight:
300.1054
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Product Description
Catalog Number:
AG019N22
Chemical Name:
2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetic acid
CAS Number:
932843-98-6
Molecular Formula:
C11H10BrNO4
Molecular Weight:
300.1054
MDL Number:
MFCD02256604
IUPAC Name:
2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetic acid
InChI:
InChI=1S/C11H10BrNO4/c1-2-16-9-4-7(5-13)3-8(12)11(9)17-6-10(14)15/h3-4H,2,6H2,1H3,(H,14,15)
InChI Key:
UYFDYMXUGXYSHC-UHFFFAOYSA-N
SMILES:
CCOc1cc(C#N)cc(c1OCC(=O)O)Br
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.979g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.108g/mol
Monoisotopic Mass:
298.979g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties