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86521-74-6 | Acetamide, N-(3-chlorophenyl)-2-isocyano-
CAS No: 86521-74-6 Catalog No: AG004PSS MDL No:
Product Description
Catalog Number:
AG004PSS
Chemical Name:
Acetamide, N-(3-chlorophenyl)-2-isocyano-
CAS Number:
86521-74-6
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
IUPAC Name:
N-(3-chlorophenyl)-2-isocyanoacetamide
InChI:
InChI=1S/C9H7ClN2O/c1-11-6-9(13)12-8-4-2-3-7(10)5-8/h2-5H,6H2,(H,12,13)
InChI Key:
XCBCVAIGBYMYOL-UHFFFAOYSA-N
SMILES:
[C-]#[N+]CC(=O)Nc1cccc(c1)Cl
Properties
Complexity:
233
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:
1
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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