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121963-39-1 | 1H-Indole, 2-bromo-1-(phenylsulfonyl)-
CAS No: 121963-39-1 Catalog No: AG0016HA MDL No:
Product Description
Catalog Number:
AG0016HA
Chemical Name:
1H-Indole, 2-bromo-1-(phenylsulfonyl)-
CAS Number:
121963-39-1
Molecular Formula:
C14H10BrNO2S
Molecular Weight:
336.2037
IUPAC Name:
1-(benzenesulfonyl)-2-bromoindole
InChI:
InChI=1S/C14H10BrNO2S/c15-14-10-11-6-4-5-9-13(11)16(14)19(17,18)12-7-2-1-3-8-12/h1-10H
InChI Key:
DILGYNXRWCVNEV-UHFFFAOYSA-N
SMILES:
Brc1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.962g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.203g/mol
Monoisotopic Mass:
334.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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