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14596-61-3 | Acetamide, N-chloro-N-(4-cyanophenyl)-
CAS No: 14596-61-3 Catalog No: AG001DK2 MDL No:
Product Description
Catalog Number:
AG001DK2
Chemical Name:
Acetamide, N-chloro-N-(4-cyanophenyl)-
CAS Number:
14596-61-3
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
IUPAC Name:
N-chloro-N-(4-cyanophenyl)acetamide
InChI:
InChI=1S/C9H7ClN2O/c1-7(13)12(10)9-4-2-8(6-11)3-5-9/h2-5H,1H3
InChI Key:
OBVGGQVFCPRQRU-UHFFFAOYSA-N
SMILES:
ClN(c1ccc(cc1)C#N)C(=O)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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