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1027069-88-0 | 1H-Indole-3-sulfonyl chloride, 4-bromo-1-(phenylsulfonyl)-
CAS No: 1027069-88-0 Catalog No: AG00085V MDL No:MFCD11849922
Product Description
Catalog Number:
AG00085V
Chemical Name:
1H-Indole-3-sulfonyl chloride, 4-bromo-1-(phenylsulfonyl)-
CAS Number:
1027069-88-0
Molecular Formula:
C14H9BrClNO4S2
Molecular Weight:
434.7126
MDL Number:
MFCD11849922
IUPAC Name:
1-(benzenesulfonyl)-4-bromoindole-3-sulfonyl chloride
InChI:
InChI=1S/C14H9BrClNO4S2/c15-11-7-4-8-12-14(11)13(22(16,18)19)9-17(12)23(20,21)10-5-2-1-3-6-10/h1-9H
InChI Key:
AJFZJGPPJQFPAU-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1c(cn2S(=O)(=O)c1ccccc1)S(=O)(=O)Cl
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.884g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.703g/mol
Monoisotopic Mass:
432.884g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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