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1201936-78-8 | 1-[4-(3-Iodo-propoxy)-phenyl]-1H-pyrrole
CAS No: 1201936-78-8 Catalog No: AG00JP3N MDL No:
Product Description
Catalog Number:
AG00JP3N
Chemical Name:
1-[4-(3-Iodo-propoxy)-phenyl]-1H-pyrrole
CAS Number:
1201936-78-8
Molecular Formula:
C13H14INO
Molecular Weight:
327.1608
IUPAC Name:
1-[4-(3-iodopropoxy)phenyl]pyrrole
InChI:
InChI=1S/C13H14INO/c14-8-3-11-16-13-6-4-12(5-7-13)15-9-1-2-10-15/h1-2,4-7,9-10H,3,8,11H2
InChI Key:
LOMOAXGWOFOIMM-UHFFFAOYSA-N
SMILES:
ICCCOc1ccc(cc1)n1cccc1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.165g/mol
Monoisotopic Mass:
327.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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