Home Halogens 2-(3-bromo-2-cyanophenoxy)acetic acid

2-(3-bromo-2-cyanophenoxy)acetic acid

CAS No.:
1600233-21-3
Catalog Number:
AG01C1SU
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
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Product Description
Catalog Number:
AG01C1SU
Chemical Name:
2-(3-bromo-2-cyanophenoxy)acetic acid
CAS Number:
1600233-21-3
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
MDL Number:
MFCD29047440
IUPAC Name:
2-(3-bromo-2-cyanophenoxy)acetic acid
InChI:
InChI=1S/C9H6BrNO3/c10-7-2-1-3-8(6(7)4-11)14-5-9(12)13/h1-3H,5H2,(H,12,13)
InChI Key:
SPZXSUQIYJRDAO-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cccc(c1C#N)Br
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.953g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.055g/mol
Monoisotopic Mass:
254.953g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties