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17213-57-9 | 3,5-DIMETHOXYBENZOYL CHLORIDE
CAS No: 17213-57-9 Catalog No: AG003INV MDL No:MFCD00000676
Product Description
Catalog Number:
AG003INV
Chemical Name:
3,5-DIMETHOXYBENZOYL CHLORIDE
CAS Number:
17213-57-9
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD00000676
IUPAC Name:
3,5-dimethoxybenzoyl chloride
InChI:
InChI=1S/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3
InChI Key:
FTHPLWDYWAKYCY-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)C(=O)Cl
EC Number:
241-256-5
NSC Number:
156082
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 4-{[4-(3,5-Dimeth-oxy-benzamido)-phen-yl]sulfan-yl}-N-methyl-pyridine-2-carboxamide. | Acta crystallographica. Section E, Structure reports online 20110401 |
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