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1459754-32-5 | Phenol, 4-[(2-chloro-5-iodophenyl)methyl]-
CAS No: 1459754-32-5 Catalog No: AG001DKD MDL No:
Product Description
Catalog Number:
AG001DKD
Chemical Name:
Phenol, 4-[(2-chloro-5-iodophenyl)methyl]-
CAS Number:
1459754-32-5
Molecular Formula:
C13H10ClIO
Molecular Weight:
344.5754
IUPAC Name:
4-[(2-chloro-5-iodophenyl)methyl]phenol
InChI:
InChI=1S/C13H10ClIO/c14-13-6-3-11(15)8-10(13)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2
InChI Key:
KYERPXJVHWYNIT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cc1cc(I)ccc1Cl
EC Number:
810-395-9
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.946g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.576g/mol
Monoisotopic Mass:
343.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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