Home Halogens 3-chloro-5-methoxy-4-(propan-2-yloxy)benzonitrile

3-chloro-5-methoxy-4-(propan-2-yloxy)benzonitrile

CAS No.:
855715-19-4
Catalog Number:
AG00IDPE
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
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Product Description
Catalog Number:
AG00IDPE
Chemical Name:
3-chloro-5-methoxy-4-(propan-2-yloxy)benzonitrile
CAS Number:
855715-19-4
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD02256387
IUPAC Name:
3-chloro-5-methoxy-4-propan-2-yloxybenzonitrile
InChI:
InChI=1S/C11H12ClNO2/c1-7(2)15-11-9(12)4-8(6-13)5-10(11)14-3/h4-5,7H,1-3H3
InChI Key:
WMMYRTPTGMOELR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(c(c1)OC)OC(C)C
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.672g/mol
Monoisotopic Mass:
225.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties