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925940-54-1 | Phenol, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-5-(iodomethyl)-
CAS No: 925940-54-1 Catalog No: AG0063CN MDL No:
Product Description
Catalog Number:
AG0063CN
Chemical Name:
Phenol, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-5-(iodomethyl)-
CAS Number:
925940-54-1
Molecular Formula:
C13H14INO
Molecular Weight:
327.1608
IUPAC Name:
3-(2,5-dimethylpyrrol-1-yl)-5-(iodomethyl)phenol
InChI:
InChI=1S/C13H14INO/c1-9-3-4-10(2)15(9)12-5-11(8-14)6-13(16)7-12/h3-7,16H,8H2,1-2H3
InChI Key:
IUWBUFAWPIQIIS-UHFFFAOYSA-N
SMILES:
ICc1cc(O)cc(c1)n1c(C)ccc1C
Properties
Complexity:
226
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:
1
Isotope Atom Count:
0
Molecular Weight:
327.165g/mol
Monoisotopic Mass:
327.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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