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13806-82-1 | Butanethioamide, N-(4-chlorophenyl)-3-oxo-
CAS No: 13806-82-1 Catalog No: AG0017XJ MDL No:
Product Description
Catalog Number:
AG0017XJ
Chemical Name:
Butanethioamide, N-(4-chlorophenyl)-3-oxo-
CAS Number:
13806-82-1
Molecular Formula:
C10H10ClNOS
Molecular Weight:
227.7105
IUPAC Name:
N-(4-chlorophenyl)-3-oxobutanethioamide
InChI:
InChI=1S/C10H10ClNOS/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
InChI Key:
ZPRBWSIUXBWCBA-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)Cl)CC(=O)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.706g/mol
Monoisotopic Mass:
227.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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