Home Halogens 3-(3-chloro-2-cyanophenoxy)benzoic acid

3-(3-chloro-2-cyanophenoxy)benzoic acid

CAS No.:
93188-82-0
Catalog Number:
AG01AJ4M
Molecular Formula:
C14H8ClNO3
Molecular Weight:
273.6712
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Product Description
Catalog Number:
AG01AJ4M
Chemical Name:
3-(3-chloro-2-cyanophenoxy)benzoic acid
CAS Number:
93188-82-0
Molecular Formula:
C14H8ClNO3
Molecular Weight:
273.6712
MDL Number:
MFCD19382128
IUPAC Name:
3-(3-chloro-2-cyanophenoxy)benzoic acid
InChI:
InChI=1S/C14H8ClNO3/c15-12-5-2-6-13(11(12)8-16)19-10-4-1-3-9(7-10)14(17)18/h1-7H,(H,17,18)
InChI Key:
UTRMVLSXRKAUQS-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1Cl)Oc1cccc(c1)C(=O)O
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.019g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.672g/mol
Monoisotopic Mass:
273.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties