Home Halogens 2-[4-(3-chloro-2-hydroxypropoxy)phenyl]acetonitrile

2-[4-(3-chloro-2-hydroxypropoxy)phenyl]acetonitrile

CAS No.:
142037-04-5
Catalog Number:
AG01AM7Q
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
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Product Description
Catalog Number:
AG01AM7Q
Chemical Name:
2-[4-(3-chloro-2-hydroxypropoxy)phenyl]acetonitrile
CAS Number:
142037-04-5
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD26035436
IUPAC Name:
2-[4-(3-chloro-2-hydroxypropoxy)phenyl]acetonitrile
InChI:
InChI=1S/C11H12ClNO2/c12-7-10(14)8-15-11-3-1-9(2-4-11)5-6-13/h1-4,10,14H,5,7-8H2
InChI Key:
FABOWIZRCDUJON-UHFFFAOYSA-N
SMILES:
ClCC(COc1ccc(cc1)CC#N)O
Properties
Complexity:
218  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
225.672g/mol
Monoisotopic Mass:
225.056g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties