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168326-89-4 | 1H-Indole, 2,3-bis(bromomethyl)-1-(phenylsulfonyl)-
CAS No: 168326-89-4 Catalog No: AG001Y0B MDL No:
Product Description
Catalog Number:
AG001Y0B
Chemical Name:
1H-Indole, 2,3-bis(bromomethyl)-1-(phenylsulfonyl)-
CAS Number:
168326-89-4
Molecular Formula:
C16H13Br2NO2S
Molecular Weight:
443.1529
IUPAC Name:
1-(benzenesulfonyl)-2,3-bis(bromomethyl)indole
InChI:
InChI=1S/C16H13Br2NO2S/c17-10-14-13-8-4-5-9-15(13)19(16(14)11-18)22(20,21)12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
CCGUWDRSDODDPD-UHFFFAOYSA-N
SMILES:
BrCc1c2ccccc2n(c1CBr)S(=O)(=O)c1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.901g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.153g/mol
Monoisotopic Mass:
440.903g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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