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1378739-56-0 | 1H-Indole, 5-(2-chloroethyl)-2,3-dihydro-
CAS No: 1378739-56-0 Catalog No: AG001403 MDL No:
Product Description
Catalog Number:
AG001403
Chemical Name:
1H-Indole, 5-(2-chloroethyl)-2,3-dihydro-
CAS Number:
1378739-56-0
Molecular Formula:
C10H12ClN
Molecular Weight:
181.6620
IUPAC Name:
5-(2-chloroethyl)-2,3-dihydro-1H-indole
InChI:
InChI=1S/C10H12ClN/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7,12H,3-6H2
InChI Key:
MZBDGBYKLDQLEI-UHFFFAOYSA-N
SMILES:
ClCCc1ccc2c(c1)CCN2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.663g/mol
Monoisotopic Mass:
181.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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