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136808-72-5 | Phenol, 5-chloro-2-iodo-
CAS No: 136808-72-5 Catalog No: AG0012E3 MDL No:MFCD09753473
Product Description
Catalog Number:
AG0012E3
Chemical Name:
Phenol, 5-chloro-2-iodo-
CAS Number:
136808-72-5
Molecular Formula:
C6H4ClIO
Molecular Weight:
254.4528
MDL Number:
MFCD09753473
IUPAC Name:
5-chloro-2-iodophenol
InChI:
InChI=1S/C6H4ClIO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChI Key:
JIGSWDKRFQWANT-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)O)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:
2.9
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