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3125-73-3 | 3-IODOPHENYL ISOTHIOCYANATE
CAS No: 3125-73-3 Catalog No: AG003JLS MDL No:MFCD00041074
Product Description
Catalog Number:
AG003JLS
Chemical Name:
3-IODOPHENYL ISOTHIOCYANATE
CAS Number:
3125-73-3
Molecular Formula:
C7H4INS
Molecular Weight:
261.0828
MDL Number:
MFCD00041074
IUPAC Name:
1-iodo-3-isothiocyanatobenzene
InChI:
InChI=1S/C7H4INS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChI Key:
LKCSXVAACHUTGC-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc(c1)I
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:
4.7
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