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116130-33-7 | Phenol, 2-chloro-4-iodo-
CAS No: 116130-33-7 Catalog No: AG000BPN MDL No:MFCD11110536
Product Description
Catalog Number:
AG000BPN
Chemical Name:
Phenol, 2-chloro-4-iodo-
CAS Number:
116130-33-7
Molecular Formula:
C6H4ClIO
Molecular Weight:
254.4528
MDL Number:
MFCD11110536
IUPAC Name:
2-chloro-4-iodophenol
InChI:
InChI=1S/C6H4ClIO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChI Key:
OZCYPGKPOUZZSO-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)Cl)O
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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