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4693-91-8 | 2-(4-Methoxyphenyl)acetyl chloride
CAS No: 4693-91-8 Catalog No: AG003LOT MDL No:MFCD00075474
Product Description
Catalog Number:
AG003LOT
Chemical Name:
2-(4-Methoxyphenyl)acetyl chloride
CAS Number:
4693-91-8
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD00075474
IUPAC Name:
2-(4-methoxyphenyl)acetyl chloride
InChI:
InChI=1S/C9H9ClO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3
InChI Key:
CXJOONIFSVSFAD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(=O)Cl
EC Number:
922-515-8
Properties
Complexity:
151
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 1-(2-Hydr-oxy-3,4-dimethoxy-phen-yl)-2-(4-methoxy-phen-yl)ethanone. | Acta crystallographica. Section E, Structure reports online 20081201 |
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