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1685-20-7 | 1-Propanone, 1-(2-amino-5-chlorophenyl)-
CAS No: 1685-20-7 Catalog No: AG001Y4B MDL No:MFCD01105919
Product Description
Catalog Number:
AG001Y4B
Chemical Name:
1-Propanone, 1-(2-amino-5-chlorophenyl)-
CAS Number:
1685-20-7
Molecular Formula:
C9H10ClNO
Molecular Weight:
183.6348
MDL Number:
MFCD01105919
IUPAC Name:
1-(2-amino-5-chlorophenyl)propan-1-one
InChI:
InChI=1S/C9H10ClNO/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
InChI Key:
SQSVDTNFHYBJKK-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(Cl)ccc1N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.635g/mol
Monoisotopic Mass:
183.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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