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Home > Indoles and Oxindole > 803712-17-6
803712-17-6 | 1H-Indole,2-[2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-2H-pyrrol-5-yl]-,monohydrochloride
CAS No: 803712-17-6 Catalog No: AG01FG9I MDL No:
Product Description
Catalog Number:
AG01FG9I
Chemical Name:
1H-Indole,2-[2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-2H-pyrrol-5-yl]-,monohydrochloride
CAS Number:
803712-17-6
Molecular Formula:
C20H20ClN3O
Molecular Weight:
353.8453
IUPAC Name:
1-chloro-2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indole
InChI:
InChI=1S/C20H18ClN3O/c1-12-8-13(2)22-15(12)10-17-20(25-3)11-16(23-17)19-9-14-6-4-5-7-18(14)24(19)21/h4-11,22H,1-3H3
InChI Key:
FANXABUATTUKEX-UHFFFAOYSA-N
SMILES:
COC1=CC(=N/C/1=C/c1[nH]c(cc1C)C)c1cc2c([nH]1)cccc2.Cl
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.834g/mol
Monoisotopic Mass:
351.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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