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1016674-12-6 | Butanamide, 4-chloro-N-(4-cyanophenyl)-
CAS No: 1016674-12-6 Catalog No: AG00054S MDL No:MFCD09928490
Product Description
Catalog Number:
AG00054S
Chemical Name:
Butanamide, 4-chloro-N-(4-cyanophenyl)-
CAS Number:
1016674-12-6
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
MDL Number:
MFCD09928490
IUPAC Name:
4-chloro-N-(4-cyanophenyl)butanamide
InChI:
InChI=1S/C11H11ClN2O/c12-7-1-2-11(15)14-10-5-3-9(8-13)4-6-10/h3-6H,1-2,7H2,(H,14,15)
InChI Key:
RCFZGBXDYJPYFR-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)Nc1ccc(cc1)C#N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.672g/mol
Monoisotopic Mass:
222.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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