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1260853-31-3

1260853-31-3 | 1H-Indole, 5-bromo-3-(2-chloroethyl)-

CAS No: 1260853-31-3 Catalog No: AG000RG7 MDL No:

Product Description

Catalog Number:
AG000RG7
Chemical Name:
1H-Indole, 5-bromo-3-(2-chloroethyl)-
CAS Number:
1260853-31-3
Molecular Formula:
C10H9BrClN
Molecular Weight:
258.5422
IUPAC Name:
5-bromo-3-(2-chloroethyl)-1H-indole
InChI:
InChI=1S/C10H9BrClN/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4H2
InChI Key:
JSCBNLURCYPFNK-UHFFFAOYSA-N
SMILES:
ClCCc1c[nH]c2c1cc(Br)cc2

Properties

Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.961g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.543g/mol
Monoisotopic Mass:
256.961g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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