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1260891-74-4 | 1H-Indole, 4-chloro-3-(2-chloroethyl)-
CAS No: 1260891-74-4 Catalog No: AG000RJU MDL No:MFCD11520830
Product Description
Catalog Number:
AG000RJU
Chemical Name:
1H-Indole, 4-chloro-3-(2-chloroethyl)-
CAS Number:
1260891-74-4
Molecular Formula:
C10H9Cl2N
Molecular Weight:
214.0912
MDL Number:
MFCD11520830
IUPAC Name:
4-chloro-3-(2-chloroethyl)-1H-indole
InChI:
InChI=1S/C10H9Cl2N/c11-5-4-7-6-13-9-3-1-2-8(12)10(7)9/h1-3,6,13H,4-5H2
InChI Key:
UNCIWMUHGLIVDT-UHFFFAOYSA-N
SMILES:
ClCCc1c[nH]c2c1c(Cl)ccc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.089g/mol
Monoisotopic Mass:
213.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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