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49602-28-0 | 4-iodoisothiazole
CAS No: 49602-28-0 Catalog No: AG00DC6J MDL No:MFCD11110310
Product Description
Catalog Number:
AG00DC6J
Chemical Name:
4-iodoisothiazole
CAS Number:
49602-28-0
Molecular Formula:
C3H2INS
Molecular Weight:
211.0241
MDL Number:
MFCD11110310
IUPAC Name:
4-iodo-1,2-thiazole
InChI:
InChI=1S/C3H2INS/c4-3-1-5-6-2-3/h1-2H
InChI Key:
ORPLUOOTMBZERD-UHFFFAOYSA-N
SMILES:
Ic1csnc1
Properties
Complexity:
50.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.895g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.02g/mol
Monoisotopic Mass:
210.895g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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