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98041-44-2 | 2-Iodophenyl isothiocyanate, 97%
CAS No: 98041-44-2 Catalog No: AG003HGY MDL No:MFCD00041057
Product Description
Catalog Number:
AG003HGY
Chemical Name:
2-Iodophenyl isothiocyanate, 97%
CAS Number:
98041-44-2
Molecular Formula:
C7H4INS
Molecular Weight:
261.0828
MDL Number:
MFCD00041057
IUPAC Name:
1-iodo-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H4INS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI Key:
ODOTYLQYSDVPMA-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1I
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.911g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.08g/mol
Monoisotopic Mass:
260.911g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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