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288608-09-3 | 1H-Pyrrole, 1-(4-iodophenyl)-2,5-dimethyl-
CAS No: 288608-09-3 Catalog No: AG002WVH MDL No:MFCD02692647
Product Description
Catalog Number:
AG002WVH
Chemical Name:
1H-Pyrrole, 1-(4-iodophenyl)-2,5-dimethyl-
CAS Number:
288608-09-3
Molecular Formula:
C12H12IN
Molecular Weight:
297.1348
MDL Number:
MFCD02692647
IUPAC Name:
1-(4-iodophenyl)-2,5-dimethylpyrrole
InChI:
InChI=1S/C12H12IN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3
InChI Key:
CLGKGHWNVMDYQB-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)n1c(C)ccc1C
Properties
Complexity:
177
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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