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863870-88-6 | 2-BROMO-3-IODOPHENOL
CAS No: 863870-88-6 Catalog No: AG004OC6 MDL No:MFCD08166322
Product Description
Catalog Number:
AG004OC6
Chemical Name:
2-BROMO-3-IODOPHENOL
CAS Number:
863870-88-6
Molecular Formula:
C6H4BrIO
Molecular Weight:
298.9038
MDL Number:
MFCD08166322
IUPAC Name:
2-bromo-3-iodophenol
InChI:
InChI=1S/C6H4BrIO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H
InChI Key:
QJLSNAHXGXLMLR-UHFFFAOYSA-N
SMILES:
Brc1c(O)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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