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Home > Bromides > 1788041-55-3
1788041-55-3 | 1H-Indazole, 3-bromo-1-(phenylsulfonyl)-
CAS No: 1788041-55-3 Catalog No: AG0026CG MDL No:
Product Description
Catalog Number:
AG0026CG
Chemical Name:
1H-Indazole, 3-bromo-1-(phenylsulfonyl)-
CAS Number:
1788041-55-3
Molecular Formula:
C13H9BrN2O2S
Molecular Weight:
337.1918
IUPAC Name:
1-(benzenesulfonyl)-3-bromoindazole
InChI:
InChI=1S/C13H9BrN2O2S/c14-13-11-8-4-5-9-12(11)16(15-13)19(17,18)10-6-2-1-3-7-10/h1-9H
InChI Key:
AEZFAIBJHYTTEW-UHFFFAOYSA-N
SMILES:
Brc1nn(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.957g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.191g/mol
Monoisotopic Mass:
335.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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