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3598-13-8 | 2-(4-Chlorophenoxy)acetonitrile
CAS No: 3598-13-8 Catalog No: AG003B2A MDL No:MFCD00031535
Product Description
Catalog Number:
AG003B2A
Chemical Name:
2-(4-Chlorophenoxy)acetonitrile
CAS Number:
3598-13-8
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD00031535
IUPAC Name:
2-(4-chlorophenoxy)acetonitrile
InChI:
InChI=1S/C8H6ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChI Key:
YUGDKEWUYZXXRU-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)Cl
NSC Number:
204123
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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