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1000341-80-9 | 1H-Indole, 4-chloro-7-Methoxy-
CAS No: 1000341-80-9 Catalog No: AG0000IC MDL No:
Product Description
Catalog Number:
AG0000IC
Chemical Name:
1H-Indole, 4-chloro-7-Methoxy-
CAS Number:
1000341-80-9
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
IUPAC Name:
4-chloro-7-methoxy-1H-indole
InChI:
InChI=1S/C9H8ClNO/c1-12-8-3-2-7(10)6-4-5-11-9(6)8/h2-5,11H,1H3
InChI Key:
HBGCLPKVGVRSKB-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1[nH]cc2)Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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