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28581-73-9 | Acetamide, N-[2-chloro-4-(1-cyanoethyl)phenyl]-
CAS No: 28581-73-9 Catalog No: AG002VR2 MDL No:
Product Description
Catalog Number:
AG002VR2
Chemical Name:
Acetamide, N-[2-chloro-4-(1-cyanoethyl)phenyl]-
CAS Number:
28581-73-9
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
IUPAC Name:
N-[2-chloro-4-(1-cyanoethyl)phenyl]acetamide
InChI:
InChI=1S/C11H11ClN2O/c1-7(6-13)9-3-4-11(10(12)5-9)14-8(2)15/h3-5,7H,1-2H3,(H,14,15)
InChI Key:
VHIRLDHNBREVHW-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(c(c1)Cl)NC(=O)C)C
Properties
Complexity:
284
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:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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