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1253654-38-4 | 1H-Indole, 6-(2-chloroethyl)-
CAS No: 1253654-38-4 Catalog No: AG000NJE MDL No:MFCD17215770
Product Description
Catalog Number:
AG000NJE
Chemical Name:
1H-Indole, 6-(2-chloroethyl)-
CAS Number:
1253654-38-4
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
MDL Number:
MFCD17215770
IUPAC Name:
6-(2-chloroethyl)-1H-indole
InChI:
InChI=1S/C10H10ClN/c11-5-3-8-1-2-9-4-6-12-10(9)7-8/h1-2,4,6-7,12H,3,5H2
InChI Key:
BNTLHZBOFSMIES-UHFFFAOYSA-N
SMILES:
ClCCc1ccc2c(c1)[nH]cc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.647g/mol
Monoisotopic Mass:
179.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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