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49602-30-4 | 5-iodoisothiazole
CAS No: 49602-30-4 Catalog No: AG00J2VZ MDL No:MFCD22396097
Product Description
Catalog Number:
AG00J2VZ
Chemical Name:
5-iodoisothiazole
CAS Number:
49602-30-4
Molecular Formula:
C3H2INS
Molecular Weight:
211.0241
MDL Number:
MFCD22396097
IUPAC Name:
5-iodo-1,2-thiazole
InChI:
InChI=1S/C3H2INS/c4-3-1-2-5-6-3/h1-2H
InChI Key:
IENVYPZXMHMGLD-UHFFFAOYSA-N
SMILES:
Ic1ccns1
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:
1.7
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