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1391069-38-7 | 1H-Pyrrole-2-carbonitrile, 3-iodo-
CAS No: 1391069-38-7 Catalog No: AG001AA5 MDL No:
Product Description
Catalog Number:
AG001AA5
Chemical Name:
1H-Pyrrole-2-carbonitrile, 3-iodo-
CAS Number:
1391069-38-7
Molecular Formula:
C5H3IN2
Molecular Weight:
217.9952
IUPAC Name:
3-iodo-1H-pyrrole-2-carbonitrile
InChI:
InChI=1S/C5H3IN2/c6-4-1-2-8-5(4)3-7/h1-2,8H
InChI Key:
VXZPIRFSUHPBQK-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]ccc1I
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.934g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.997g/mol
Monoisotopic Mass:
217.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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