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887588-22-9 | 3-(5-Iodothiophen-2-yl)-3-oxopropanenitrile
CAS No: 887588-22-9 Catalog No: AG008BDV MDL No:MFCD07785837
Product Description
Catalog Number:
AG008BDV
Chemical Name:
3-(5-Iodothiophen-2-yl)-3-oxopropanenitrile
CAS Number:
887588-22-9
Molecular Formula:
C7H4INOS
Molecular Weight:
277.0822
MDL Number:
MFCD07785837
IUPAC Name:
3-(5-iodothiophen-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C7H4INOS/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2H,3H2
InChI Key:
UINZRXQHPFYYMM-UHFFFAOYSA-N
SMILES:
Ic1ccc(s1)C(=O)CC#N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.906g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.079g/mol
Monoisotopic Mass:
276.906g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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