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192887-91-5 | 1H-Pyrrole, 3-ethyl-2-iodo-4-methyl-
CAS No: 192887-91-5 Catalog No: AG002GFL MDL No:
Product Description
Catalog Number:
AG002GFL
Chemical Name:
1H-Pyrrole, 3-ethyl-2-iodo-4-methyl-
CAS Number:
192887-91-5
Molecular Formula:
C7H10IN
Molecular Weight:
235.0655
IUPAC Name:
3-ethyl-2-iodo-4-methyl-1H-pyrrole
InChI:
InChI=1S/C7H10IN/c1-3-6-5(2)4-9-7(6)8/h4,9H,3H2,1-2H3
InChI Key:
ZVFUCWYUARQNIG-UHFFFAOYSA-N
SMILES:
CCc1c(I)[nH]cc1C
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.986g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.068g/mol
Monoisotopic Mass:
234.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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