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2631-71-2 | Ethanone, 1-(4-aminophenyl)-2-chloro-
CAS No: 2631-71-2 Catalog No: AG002SO6 MDL No:MFCD09033919
Product Description
Catalog Number:
AG002SO6
Chemical Name:
Ethanone, 1-(4-aminophenyl)-2-chloro-
CAS Number:
2631-71-2
Molecular Formula:
C8H8ClNO
Molecular Weight:
169.6082
MDL Number:
MFCD09033919
IUPAC Name:
1-(4-aminophenyl)-2-chloroethanone
InChI:
InChI=1S/C8H8ClNO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5,10H2
InChI Key:
PMVLUYJPOCBXNS-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(cc1)N
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.608g/mol
Monoisotopic Mass:
169.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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