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Home > Bromides > 1001394-95-1
1001394-95-1 | 1H-Indole, 4-bromo-6-fluoro-1-(phenylsulfonyl)-
CAS No: 1001394-95-1 Catalog No: AG00012P MDL No:MFCD29060181
Product Description
Catalog Number:
AG00012P
Chemical Name:
1H-Indole, 4-bromo-6-fluoro-1-(phenylsulfonyl)-
CAS Number:
1001394-95-1
Molecular Formula:
C14H9BrFNO2S
Molecular Weight:
354.1942
MDL Number:
MFCD29060181
IUPAC Name:
1-(benzenesulfonyl)-4-bromo-6-fluoroindole
InChI:
InChI=1S/C14H9BrFNO2S/c15-13-8-10(16)9-14-12(13)6-7-17(14)20(18,19)11-4-2-1-3-5-11/h1-9H
InChI Key:
CZEXVNDQUSHRPL-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)c2c(c1)n(cc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.952g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.193g/mol
Monoisotopic Mass:
352.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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