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88486-72-0 | Benzene, 1,3,5-tribromo-2-(phenylmethoxy)-
CAS No: 88486-72-0 Catalog No: AG004A0E MDL No:
Product Description
Catalog Number:
AG004A0E
Chemical Name:
Benzene, 1,3,5-tribromo-2-(phenylmethoxy)-
CAS Number:
88486-72-0
Molecular Formula:
C13H9Br3O
Molecular Weight:
420.9220
IUPAC Name:
1,3,5-tribromo-2-phenylmethoxybenzene
InChI:
InChI=1S/C13H9Br3O/c14-10-6-11(15)13(12(16)7-10)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
AVIFETXUEKGOSB-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)Br)OCc1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.818g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.926g/mol
Monoisotopic Mass:
417.82g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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