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1225380-04-0 | Benzenemethanol, 4-bromo-α-methyl-α-(trifluoromethyl)-, 1-methanesulfonate
CAS No: 1225380-04-0 Catalog No: AG0017FC MDL No:
Product Description
Catalog Number:
AG0017FC
Chemical Name:
Benzenemethanol, 4-bromo-α-methyl-α-(trifluoromethyl)-, 1-methanesulfonate
CAS Number:
1225380-04-0
Molecular Formula:
C10H10BrF3O3S
Molecular Weight:
347.1488
IUPAC Name:
[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl] methanesulfonate
InChI:
InChI=1S/C10H10BrF3O3S/c1-9(10(12,13)14,17-18(2,15)16)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChI Key:
DOIIWOSCJOIGLQ-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)(c1ccc(cc1)Br)OS(=O)(=O)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.949g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.146g/mol
Monoisotopic Mass:
345.949g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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