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Home > Bromides > 1215205-96-1
1215205-96-1 | Benzene, 1-bromo-3-(methylsulfonyl)-5-(trifluoromethyl)-
CAS No: 1215205-96-1 Catalog No: AG00156C MDL No:MFCD15143584
Product Description
Catalog Number:
AG00156C
Chemical Name:
Benzene, 1-bromo-3-(methylsulfonyl)-5-(trifluoromethyl)-
CAS Number:
1215205-96-1
Molecular Formula:
C8H6BrF3O2S
Molecular Weight:
303.0962
MDL Number:
MFCD15143584
IUPAC Name:
1-bromo-3-methylsulfonyl-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3O2S/c1-15(13,14)7-3-5(8(10,11)12)2-6(9)4-7/h2-4H,1H3
InChI Key:
XYPYTUQQTPNHKI-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)S(=O)(=O)C)C(F)(F)F
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.922g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.093g/mol
Monoisotopic Mass:
301.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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