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1260770-67-9 | 1H-Indole, 3-(2-chloroethyl)-4-methyl-
CAS No: 1260770-67-9 Catalog No: AG000R6E MDL No:MFCD11520833
Product Description
Catalog Number:
AG000R6E
Chemical Name:
1H-Indole, 3-(2-chloroethyl)-4-methyl-
CAS Number:
1260770-67-9
Molecular Formula:
C11H12ClN
Molecular Weight:
193.6727
MDL Number:
MFCD11520833
IUPAC Name:
3-(2-chloroethyl)-4-methyl-1H-indole
InChI:
InChI=1S/C11H12ClN/c1-8-3-2-4-10-11(8)9(5-6-12)7-13-10/h2-4,7,13H,5-6H2,1H3
InChI Key:
KDZQOVHMVRCNJV-UHFFFAOYSA-N
SMILES:
ClCCc1c[nH]c2c1c(C)ccc2
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:
3.3
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