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52807-27-9 | 4-Chloro-2-iodoanisole
CAS No: 52807-27-9 Catalog No: AG003L3F MDL No:MFCD00052858
Product Description
Catalog Number:
AG003L3F
Chemical Name:
4-Chloro-2-iodoanisole
CAS Number:
52807-27-9
Molecular Formula:
C7H6ClIO
Molecular Weight:
268.4794
MDL Number:
MFCD00052858
IUPAC Name:
4-chloro-2-iodo-1-methoxybenzene
InChI:
InChI=1S/C7H6ClIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChI Key:
CXXXAGIYCFOGHA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1I)Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.915g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.478g/mol
Monoisotopic Mass:
267.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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