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79406-57-8 | 1-(3-Amino-4-chlorophenyl)ethan-1-one
CAS No: 79406-57-8 Catalog No: AG005K6P MDL No:MFCD00122619
Product Description
Catalog Number:
AG005K6P
Chemical Name:
1-(3-Amino-4-chlorophenyl)ethan-1-one
CAS Number:
79406-57-8
Molecular Formula:
C8H8ClNO
Molecular Weight:
169.6082
MDL Number:
MFCD00122619
IUPAC Name:
1-(3-amino-4-chlorophenyl)ethanone
InChI:
InChI=1S/C8H8ClNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3
InChI Key:
CELXPDXOZXEXJX-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)N)Cl
Properties
Complexity:
160
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:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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