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800400-55-9

800400-55-9 | Ethanone,1-(2,5,6-trichloro-1H-indol-3-yl)-

CAS No: 800400-55-9 Catalog No: AG0055G2 MDL No:

Product Description

Catalog Number:
AG0055G2
Chemical Name:
Ethanone,1-(2,5,6-trichloro-1H-indol-3-yl)-
CAS Number:
800400-55-9
Molecular Formula:
C10H6Cl3NO
Molecular Weight:
262.5197
IUPAC Name:
1-(2,5,6-trichloro-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C10H6Cl3NO/c1-4(15)9-5-2-6(11)7(12)3-8(5)14-10(9)13/h2-3,14H,1H3
InChI Key:
RJDWPFHFAHHUDJ-UHFFFAOYSA-N
SMILES:
Clc1cc2c(cc1Cl)[nH]c(c2C(=O)C)Cl

Properties

Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.951g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.514g/mol
Monoisotopic Mass:
260.951g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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