Home Other Building Blocks 17213-57-9
17213-57-9,MFCD00000676
Catalog No.:AA003IL3
17213-57-9 | 3,5-Dimethoxybenzoyl chloride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$48.00   $33.00
- +
25g
98%
in stock  
$179.00   $125.00
- +
100g
98%
in stock  
$604.00   $423.00
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IL3
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
Computed 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  

Synonyms
 
3,5-Dimethoxybenzoyl chloride 
17213-57-9 
SCHEMBL24155 
3,5-dimethoxy benzoyl chloride 
AC1Q47J3 
ACMC-1C560 
CTK4D4129 
Benzoyl chloride,3,5-dimethoxy- 
3,5-Dimethoxybenzoic acid chloride 
ZINC1578917 
ANW-22554 
CD-412 
Benzoyl chloride, 3,5-dimethoxy- 
GEO-01132 
SBB009969 
3,5-Dimethoxybenzoyl chloride, 97% 
AKOS000280704 
MCULE-4289538957 
NSC-156082 
3,5-dimethoxy-1-benzenecarbonyl chloride 
AS-54551 
CJ-25101 
ST059917 
3,5-dimethoxy-benzoyl chloride 
DB-043883 
TR-007579 
D2609 
FT-0614642 
X2866 
A811378 
J-010797 
I01-18483 
InChI=1/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H 
C9-H9-Cl-O3 
FTHPLWDYWAKYCY-UHFFFAOYSA-N 
CID87003 
MFCD00000676 
EINECS 241-256-5 
NSC156082 
AC1L3CQQ 
3,5-dimethoxybenzoylchloride 
Literature

Title: 4-{[4-(3,5-Dimeth-oxy-benzamido)-phen-yl]sulfan-yl}-N-methyl-pyridine-2-carboxamide.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

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