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1261644-21-6 | Benzenemethanol, 2-bromo-3-iodo-
CAS No: 1261644-21-6 Catalog No: AG000RWP MDL No:MFCD11520410
Product Description
Catalog Number:
AG000RWP
Chemical Name:
Benzenemethanol, 2-bromo-3-iodo-
CAS Number:
1261644-21-6
Molecular Formula:
C7H6BrIO
Molecular Weight:
312.9304
MDL Number:
MFCD11520410
IUPAC Name:
(2-bromo-3-iodophenyl)methanol
InChI:
InChI=1S/C7H6BrIO/c8-7-5(4-10)2-1-3-6(7)9/h1-3,10H,4H2
InChI Key:
PRQUJNCOMDYCMC-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1Br)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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