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100398-25-2 | Benzene, 4-chloro-2-iodo-1-(phenylmethoxy)-
CAS No: 100398-25-2 Catalog No: AG0001W0 MDL No:
Product Description
Catalog Number:
AG0001W0
Chemical Name:
Benzene, 4-chloro-2-iodo-1-(phenylmethoxy)-
CAS Number:
100398-25-2
Molecular Formula:
C13H10ClIO
Molecular Weight:
344.5754
IUPAC Name:
4-chloro-2-iodo-1-phenylmethoxybenzene
InChI:
InChI=1S/C13H10ClIO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
OODCZCBJWKICJZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)I)OCc1ccccc1
Properties
Complexity:
206
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:
0
Isotope Atom Count:
0
Molecular Weight:
344.576g/mol
Monoisotopic Mass:
343.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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