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3694-49-3 | 4-Iodobenzyl isothiocyanate
CAS No: 3694-49-3 Catalog No: AG00CYV0 MDL No:
Product Description
Catalog Number:
AG00CYV0
Chemical Name:
4-Iodobenzyl isothiocyanate
CAS Number:
3694-49-3
IUPAC Name:
1-iodo-4-(isothiocyanatomethyl)benzene
InChI:
InChI=1S/C8H6INS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChI Key:
QMNNXEXDGXWBME-UHFFFAOYSA-N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.927g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.107g/mol
Monoisotopic Mass:
274.927g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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