Home Halogens 3-(4-amino-2-chlorophenoxymethyl)benzonitrile

3-(4-amino-2-chlorophenoxymethyl)benzonitrile

CAS No.:
848134-22-5
Catalog Number:
AG01AA9X
Molecular Formula:
C14H11ClN2O
Molecular Weight:
258.7029
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Product Description
Catalog Number:
AG01AA9X
Chemical Name:
3-(4-amino-2-chlorophenoxymethyl)benzonitrile
CAS Number:
848134-22-5
Molecular Formula:
C14H11ClN2O
Molecular Weight:
258.7029
MDL Number:
MFCD09932757
IUPAC Name:
3-[(4-amino-2-chlorophenoxy)methyl]benzonitrile
InChI:
InChI=1S/C14H11ClN2O/c15-13-7-12(17)4-5-14(13)18-9-11-3-1-2-10(6-11)8-16/h1-7H,9,17H2
InChI Key:
BSGKTALOSUPRCT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)COc1ccc(cc1Cl)N
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.056g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.705g/mol
Monoisotopic Mass:
258.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties