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Home > Bromides > 1036027-58-3
1036027-58-3 | 1H-Pyrrolo[2,3-b]pyridine, 3-bromo-1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-
CAS No: 1036027-58-3 Catalog No: AG01F3H1 MDL No:
Product Description
Catalog Number:
AG01F3H1
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-bromo-1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-
CAS Number:
1036027-58-3
Molecular Formula:
C15H10BrF3N2O2S
Molecular Weight:
419.2163
IUPAC Name:
3-bromo-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C15H10BrF3N2O2S/c1-9-2-4-11(5-3-9)24(22,23)21-8-13(16)12-6-10(15(17,18)19)7-20-14(12)21/h2-8H,1H3
InChI Key:
PFDNRBPZZLRWKW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ncc(c2)C(F)(F)F)Br
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.96g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.216g/mol
Monoisotopic Mass:
417.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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