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37612-52-5 | 3-CHLORO-4-METHOXYACETOPHENONE
CAS No: 37612-52-5 Catalog No: AG003J89 MDL No:MFCD04973413
Product Description
Catalog Number:
AG003J89
Chemical Name:
3-CHLORO-4-METHOXYACETOPHENONE
CAS Number:
37612-52-5
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD04973413
IUPAC Name:
1-(3-chloro-4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9ClO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
InChI Key:
QILWOKAXHOAFOF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cl)C(=O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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