Home Aldehydes 101349-95-5
101349-95-5,MFCD08166750
Catalog No.:AA000470
101349-95-5 | 2-Chloro-4-methanesulfonylbenzaldehyde
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Purity
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1g
95%
in stock  
$134.00   $94.00
- +
5g
95%
in stock  
$447.00   $313.00
- +
25g
95%
in stock  
$1,750.00   $1,225.00
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA000470
Chemical Name:
2-Chloro-4-methanesulfonylbenzaldehyde
CAS Number:
101349-95-5
Molecular Formula:
C8H7ClO3S
Molecular Weight:
218.6574
MDL Number:
MFCD08166750
IUPAC Name:
2-chloro-4-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H7ClO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChI Key:
FSZMGEPPBLUUFS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.98g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.651g/mol
Monoisotopic Mass:
217.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
2-chloro-4-(methylsulfonyl)benzaldehyde 
101349-95-5 
2-chloro-4-methylsulfonylbenzaldehyde 
MFCD04037960 
2-chloro-4-methanesulfonylbenzaldehyde 
AKOS015959101 
PB27627 
2-chloro 4-(methylsulphonyl)benzaldehyde 
ZB005686 
CS-0053931 
Q-4027 
BENZALDEHYDE, 2-CHLORO-4-(METHYLSULFONYL)- 
2-Chloro-4-(methylsulfonyl)-benzaldehyde 
ZINC00154167 
CID2761084 
2-CHLORO-4-METHANESULFONYL-BENZALDEHYDE 
SCHEMBL355839 
AC1MC455 
CTK3J9704 
DTXSID50375533 
FSZMGEPPBLUUFS-UHFFFAOYSA-N 
ZINC154167 
Literature
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