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51333-65-4 | 2-ACETYL-4-IODOPYRROLE
CAS No: 51333-65-4 Catalog No: AG00D93E MDL No:
Product Description
Catalog Number:
AG00D93E
Chemical Name:
2-ACETYL-4-IODOPYRROLE
CAS Number:
51333-65-4
Molecular Formula:
C6H6INO
Molecular Weight:
235.0224
IUPAC Name:
1-(4-iodo-1H-pyrrol-2-yl)ethanone
InChI:
InChI=1S/C6H6INO/c1-4(9)6-2-5(7)3-8-6/h2-3,8H,1H3
InChI Key:
YAXJBZOJBNNNGD-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(c[nH]1)I
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.949g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.024g/mol
Monoisotopic Mass:
234.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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