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1261438-69-0 | Benzenemethanol, 4-bromo-2-iodo-
CAS No: 1261438-69-0 Catalog No: AG000RQF MDL No:
Product Description
Catalog Number:
AG000RQF
Chemical Name:
Benzenemethanol, 4-bromo-2-iodo-
CAS Number:
1261438-69-0
Molecular Formula:
C7H6BrIO
Molecular Weight:
312.9304
IUPAC Name:
(4-bromo-2-iodophenyl)methanol
InChI:
InChI=1S/C7H6BrIO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChI Key:
PHCDQWNJXJCVFN-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1I)Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.865g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.932g/mol
Monoisotopic Mass:
311.865g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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