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2040-86-0 | Phenol, 2-bromo-6-iodo-
CAS No: 2040-86-0 Catalog No: AG002995 MDL No:MFCD16999870
Product Description
Catalog Number:
AG002995
Chemical Name:
Phenol, 2-bromo-6-iodo-
CAS Number:
2040-86-0
Molecular Formula:
C6H4BrIO
Molecular Weight:
298.9038
MDL Number:
MFCD16999870
IUPAC Name:
2-bromo-6-iodophenol
InChI:
InChI=1S/C6H4BrIO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChI Key:
ZZBRPSNXUDZTRX-UHFFFAOYSA-N
SMILES:
Oc1c(Br)cccc1I
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:
297.849g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.905g/mol
Monoisotopic Mass:
297.849g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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