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30273-26-8 | Propanenitrile, 3-[(4-chloro-2-methylphenyl)amino]-
CAS No: 30273-26-8 Catalog No: AG002ZFL MDL No:
Product Description
Catalog Number:
AG002ZFL
Chemical Name:
Propanenitrile, 3-[(4-chloro-2-methylphenyl)amino]-
CAS Number:
30273-26-8
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
IUPAC Name:
3-(4-chloro-2-methylanilino)propanenitrile
InChI:
InChI=1S/C10H11ClN2/c1-8-7-9(11)3-4-10(8)13-6-2-5-12/h3-4,7,13H,2,6H2,1H3
InChI Key:
YYAMHTYUYPKOGT-UHFFFAOYSA-N
SMILES:
N#CCCNc1ccc(cc1C)Cl
Properties
Complexity:
196
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:
3
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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