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1260893-13-7 | 1H-Indole, 3-(2-chloroethyl)-5-methyl-
CAS No: 1260893-13-7 Catalog No: AG000RJM MDL No:MFCD11520835
Product Description
Catalog Number:
AG000RJM
Chemical Name:
1H-Indole, 3-(2-chloroethyl)-5-methyl-
CAS Number:
1260893-13-7
Molecular Formula:
C11H12ClN
Molecular Weight:
193.6727
MDL Number:
MFCD11520835
IUPAC Name:
3-(2-chloroethyl)-5-methyl-1H-indole
InChI:
InChI=1S/C11H12ClN/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5H2,1H3
InChI Key:
DPWGCPBWANGHIP-UHFFFAOYSA-N
SMILES:
ClCCc1c[nH]c2c1cc(C)cc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.674g/mol
Monoisotopic Mass:
193.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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