Home Halogens 2-Formyl-5-(methylsulphonyl)benzotrifluoride

2-Formyl-5-(methylsulphonyl)benzotrifluoride

CAS No.:
1215310-75-0
Catalog Number:
AG00158V
Molecular Formula:
C9H7F3O3S
Molecular Weight:
252.2103
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$35
- +
5g
98%
In Stock USA
United States
$105
- +
10g
98%
In Stock USA
United States
$167
- +
25g
98%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG00158V
Chemical Name:
2-Formyl-5-(methylsulphonyl)benzotrifluoride
CAS Number:
1215310-75-0
Molecular Formula:
C9H7F3O3S
Molecular Weight:
252.2103
MDL Number:
MFCD15479075
IUPAC Name:
4-methylsulfonyl-2-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O3S/c1-16(14,15)7-3-2-6(5-13)8(4-7)9(10,11)12/h2-5H,1H3
InChI Key:
KKZHDYBLTHETMS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C
EC Number:
812-681-9
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.007g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.207g/mol
Monoisotopic Mass:
252.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties