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828935-06-4 | 1H-Pyrrole-2,5-dimethanol, 3,4-diiodo-
CAS No: 828935-06-4 Catalog No: AG004VDY MDL No:
Product Description
Catalog Number:
AG004VDY
Chemical Name:
1H-Pyrrole-2,5-dimethanol, 3,4-diiodo-
CAS Number:
828935-06-4
Molecular Formula:
C6H7I2NO2
Molecular Weight:
378.9342
IUPAC Name:
[5-(hydroxymethyl)-3,4-diiodo-1H-pyrrol-2-yl]methanol
InChI:
InChI=1S/C6H7I2NO2/c7-5-3(1-10)9-4(2-11)6(5)8/h9-11H,1-2H2
InChI Key:
IVDCEAXTVVXXIT-UHFFFAOYSA-N
SMILES:
OCc1[nH]c(c(c1I)I)CO
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.857g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
378.936g/mol
Monoisotopic Mass:
378.857g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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