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Home > Indoles and Oxindole > 821795-01-1
821795-01-1 | 2H-Indol-2-one, 1,3-dihydro-4-iodo-3-(1H-pyrrol-2-ylmethylene)-
CAS No: 821795-01-1 Catalog No: AG005I5Z MDL No:
Product Description
Catalog Number:
AG005I5Z
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-4-iodo-3-(1H-pyrrol-2-ylmethylene)-
CAS Number:
821795-01-1
Molecular Formula:
C13H9IN2O
Molecular Weight:
336.1278
IUPAC Name:
4-iodo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
InChI:
InChI=1S/C13H9IN2O/c14-10-4-1-5-11-12(10)9(13(17)16-11)7-8-3-2-6-15-8/h1-7,15H,(H,16,17)
InChI Key:
LXCJRPWVKIUJQI-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=Cc1[nH]ccc1)c(I)ccc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.976g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.132g/mol
Monoisotopic Mass:
335.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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