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1167056-98-5 | 1H-Indole, 6-chloro-4-methoxy-7-methyl-
CAS No: 1167056-98-5 Catalog No: AG000D4A MDL No:MFCD12405108
Product Description
Catalog Number:
AG000D4A
Chemical Name:
1H-Indole, 6-chloro-4-methoxy-7-methyl-
CAS Number:
1167056-98-5
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
MDL Number:
MFCD12405108
IUPAC Name:
6-chloro-4-methoxy-7-methyl-1H-indole
InChI:
InChI=1S/C10H10ClNO/c1-6-8(11)5-9(13-2)7-3-4-12-10(6)7/h3-5,12H,1-2H3
InChI Key:
LFUJYGWXXIWIDG-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(c2c1cc[nH]2)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.646g/mol
Monoisotopic Mass:
195.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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