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87231-27-4 | Propanamide, 3-[(3-chlorophenyl)amino]-N-propyl-
CAS No: 87231-27-4 Catalog No: AG004MU9 MDL No:
Product Description
Catalog Number:
AG004MU9
Chemical Name:
Propanamide, 3-[(3-chlorophenyl)amino]-N-propyl-
CAS Number:
87231-27-4
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
IUPAC Name:
3-(3-chloroanilino)-N-propylpropanamide
InChI:
InChI=1S/C12H17ClN2O/c1-2-7-15-12(16)6-8-14-11-5-3-4-10(13)9-11/h3-5,9,14H,2,6-8H2,1H3,(H,15,16)
InChI Key:
YSLQFWYMSFBVKX-UHFFFAOYSA-N
SMILES:
CCCNC(=O)CCNc1cccc(c1)Cl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.731g/mol
Monoisotopic Mass:
240.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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