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83543-34-4 | Propanenitrile,3-[(3-chlorophenyl)(2-phenoxyethyl)amino]-
CAS No: 83543-34-4 Catalog No: AG004ZNC MDL No:
Product Description
Catalog Number:
AG004ZNC
Chemical Name:
Propanenitrile,3-[(3-chlorophenyl)(2-phenoxyethyl)amino]-
CAS Number:
83543-34-4
Molecular Formula:
C17H17ClN2O
Molecular Weight:
300.7827
IUPAC Name:
3-[3-chloro-N-(2-phenoxyethyl)anilino]propanenitrile
InChI:
InChI=1S/C17H17ClN2O/c18-15-6-4-7-16(14-15)20(11-5-10-19)12-13-21-17-8-2-1-3-9-17/h1-4,6-9,14H,5,11-13H2
InChI Key:
CQVRZYWGMVHWSG-UHFFFAOYSA-N
SMILES:
N#CCCN(c1cccc(c1)Cl)CCOc1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.786g/mol
Monoisotopic Mass:
300.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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