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62675-34-7 | 3-((4-Chlorobenzyl)amino)propanenitrile
CAS No: 62675-34-7 Catalog No: AG003I3T MDL No:
Product Description
Catalog Number:
AG003I3T
Chemical Name:
3-((4-Chlorobenzyl)amino)propanenitrile
CAS Number:
62675-34-7
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
IUPAC Name:
3-[(4-chlorophenyl)methylamino]propanenitrile
InChI:
InChI=1S/C10H11ClN2/c11-10-4-2-9(3-5-10)8-13-7-1-6-12/h2-5,13H,1,7-8H2
InChI Key:
CCDBUCXBPBMKJY-UHFFFAOYSA-N
SMILES:
N#CCCNCc1ccc(cc1)Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.662g/mol
Monoisotopic Mass:
194.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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