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800400-79-7 | Ethanone,1-(2-bromo-5,6-dichloro-1H-indol-3-yl)-
CAS No: 800400-79-7 Catalog No: AG005DII MDL No:
Product Description
Catalog Number:
AG005DII
Chemical Name:
Ethanone,1-(2-bromo-5,6-dichloro-1H-indol-3-yl)-
CAS Number:
800400-79-7
Molecular Formula:
C10H6BrCl2NO
Molecular Weight:
306.9707
IUPAC Name:
1-(2-bromo-5,6-dichloro-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C10H6BrCl2NO/c1-4(15)9-5-2-6(12)7(13)3-8(5)14-10(9)11/h2-3,14H,1H3
InChI Key:
SDZTVVBTDGWSKB-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(Br)[nH]c2c1cc(Cl)c(c2)Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.901g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.968g/mol
Monoisotopic Mass:
304.901g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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