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167867-84-7 | 1H-Pyrrole, 1-(3-iodopropyl)-
CAS No: 167867-84-7 Catalog No: AG001XND MDL No:
Product Description
Catalog Number:
AG001XND
Chemical Name:
1H-Pyrrole, 1-(3-iodopropyl)-
CAS Number:
167867-84-7
Molecular Formula:
C7H10IN
Molecular Weight:
235.0655
IUPAC Name:
1-(3-iodopropyl)pyrrole
InChI:
InChI=1S/C7H10IN/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2
InChI Key:
JSCMRGSUFIXGDJ-UHFFFAOYSA-N
SMILES:
ICCCn1cccc1
Properties
Complexity:
69.3
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:
0
Isotope Atom Count:
0
Molecular Weight:
235.068g/mol
Monoisotopic Mass:
234.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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