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855403-42-8 | 3-Chloro-4-iodophenol
CAS No: 855403-42-8 Catalog No: AG0033NS MDL No:MFCD17000018
Product Description
Catalog Number:
AG0033NS
Chemical Name:
3-Chloro-4-iodophenol
CAS Number:
855403-42-8
Molecular Formula:
C6H4ClIO
Molecular Weight:
254.4528
MDL Number:
MFCD17000018
IUPAC Name:
3-chloro-4-iodophenol
InChI:
InChI=1S/C6H4ClIO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChI Key:
DIBGHLUZOSSRIT-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Cl)I
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.9g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.451g/mol
Monoisotopic Mass:
253.9g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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