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1261648-93-4 | Benzenemethanol, 2-bromo-4-iodo-
CAS No: 1261648-93-4 Catalog No: AG000RXU MDL No:
Product Description
Catalog Number:
AG000RXU
Chemical Name:
Benzenemethanol, 2-bromo-4-iodo-
CAS Number:
1261648-93-4
Molecular Formula:
C7H6BrIO
Molecular Weight:
312.9304
IUPAC Name:
(2-bromo-4-iodophenyl)methanol
InChI:
InChI=1S/C7H6BrIO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
InChI Key:
YMEXRVNZYXNDDN-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1Br)I
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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