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1227268-59-8

1227268-59-8 | 1H-Indole, 5-chloro-4,7-dimethyl-

CAS No: 1227268-59-8 Catalog No: AG000J3W MDL No:

Product Description

Catalog Number:
AG000J3W
Chemical Name:
1H-Indole, 5-chloro-4,7-dimethyl-
CAS Number:
1227268-59-8
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
IUPAC Name:
5-chloro-4,7-dimethyl-1H-indole
InChI:
InChI=1S/C10H10ClN/c1-6-5-9(11)7(2)8-3-4-12-10(6)8/h3-5,12H,1-2H3
InChI Key:
VNRJYGVWCMDQPP-UHFFFAOYSA-N
SMILES:
Clc1cc(C)c2c(c1C)cc[nH]2

Properties

Complexity:
171  
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:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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