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21615-34-9 | o-Anisoyl chloride
CAS No: 21615-34-9 Catalog No: AG003TFO MDL No:MFCD00000664
Product Description
Catalog Number:
AG003TFO
Chemical Name:
o-Anisoyl chloride
CAS Number:
21615-34-9
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00000664
IUPAC Name:
2-methoxybenzoyl chloride
InChI:
InChI=1S/C8H7ClO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
InChI Key:
RZNHSEZOLFEFGB-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 2-Meth-oxy-N-[5-(2-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]benzamide hemi-hydrate. | Acta crystallographica. Section E, Structure reports online 20080801 |
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