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141673-46-3 | Carbonochloridic acid, (3-iodophenyl)methyl ester
CAS No: 141673-46-3 Catalog No: AG001GVF MDL No:
Product Description
Catalog Number:
AG001GVF
Chemical Name:
Carbonochloridic acid, (3-iodophenyl)methyl ester
CAS Number:
141673-46-3
Molecular Formula:
C8H6ClIO2
Molecular Weight:
296.4895
IUPAC Name:
(3-iodophenyl)methyl carbonochloridate
InChI:
InChI=1S/C8H6ClIO2/c9-8(11)12-5-6-2-1-3-7(10)4-6/h1-4H,5H2
InChI Key:
GYWZVFKUZNIVFC-UHFFFAOYSA-N
SMILES:
ClC(=O)OCc1cccc(c1)I
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.91g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.488g/mol
Monoisotopic Mass:
295.91g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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