Home Sulfos 1-(bromomethyl)-4-methanesulfonyl-2-(trifluoromethyl)benzene

1-(bromomethyl)-4-methanesulfonyl-2-(trifluoromethyl)benzene

CAS No.:
934557-65-0
Catalog Number:
AG00IHML
Molecular Formula:
C9H8BrF3O2S
Molecular Weight:
317.1228
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Product Description
Catalog Number:
AG00IHML
Chemical Name:
1-(bromomethyl)-4-methanesulfonyl-2-(trifluoromethyl)benzene
CAS Number:
934557-65-0
Molecular Formula:
C9H8BrF3O2S
Molecular Weight:
317.1228
MDL Number:
MFCD16606069
IUPAC Name:
1-(bromomethyl)-4-methylsulfonyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3O2S/c1-16(14,15)7-3-2-6(5-10)8(4-7)9(11,12)13/h2-4H,5H2,1H3
InChI Key:
ONSMWCRBEGDPIL-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1C(F)(F)F)S(=O)(=O)C
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.938g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.12g/mol
Monoisotopic Mass:
315.938g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties