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1-(2-Chlorophenyl)-3-(dimethylamino)-2-methanesulfonylprop-2-EN-1-one

HCID 178764545
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Basic information

CAS
251307-30-9
Standard SMILES
CN(C)C=C(C(=O)c1ccccc1Cl)S(C)(=O)=O
InChIKey
PENSHNKBPRJYRM-UHFFFAOYSA-N
Molecular formula
C12H14ClNO3S
Average molar mass
287.76 g/mol

Names & identifiers

Preferred name
1-(2-Chlorophenyl)-3-(dimethylamino)-2-methanesulfonylprop-2-EN-1-one
IUPAC
1-(2-chlorophenyl)-3-(dimethylamino)-2-methylsulfonylprop-2-en-1-one
English name
1-(2-Chlorophenyl)-3-(dimethylamino)-2-(methylsulfonyl)-2-propen-1-one
Molecular formula
C12H14ClNO3S
Molecular weight
287.76

Names & synonyms

1-(2-CHLOROPHENYL)-3-(DIMETHYLAMINO)-2-METHANESULFONYLPROP-2-EN-1-ONEAKOS0302434221-(2-Chlorophenyl)-3-(dimethylamino)-2-(methylsulfonyl)-2-propen-1-one2-Propen-1-one, 1-(2-chlorophenyl)-3-(dimethylamino)-2-(methylsulfonyl)-

Database identifiers

CAS
251307-30-9

Properties

Computed structural properties

XLogP
2
Topological polar surface area
62.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
437

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

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