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217314-37-9 | 1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrole
CAS No: 217314-37-9 Catalog No: AG00BH03 MDL No:MFCD07429165
Product Description
Catalog Number:
AG00BH03
Chemical Name:
1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrole
CAS Number:
217314-37-9
Molecular Formula:
C12H12IN
Molecular Weight:
297.1348
MDL Number:
MFCD07429165
IUPAC Name:
1-(3-iodophenyl)-2,5-dimethylpyrrole
InChI:
InChI=1S/C12H12IN/c1-9-6-7-10(2)14(9)12-5-3-4-11(13)8-12/h3-8H,1-2H3
InChI Key:
ZONDZQDYFVQUKL-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)n1c(C)ccc1C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.139g/mol
Monoisotopic Mass:
297.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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