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52273-41-3 | 3,5-DIIODO-4-METHOXY-BENZYLALCOHOL
CAS No: 52273-41-3 Catalog No: AG00DFNP MDL No:
Product Description
Catalog Number:
AG00DFNP
Chemical Name:
3,5-DIIODO-4-METHOXY-BENZYLALCOHOL
CAS Number:
52273-41-3
Molecular Formula:
C8H8I2O2
Molecular Weight:
389.9569
IUPAC Name:
(3,5-diiodo-4-methoxyphenyl)methanol
InChI:
InChI=1S/C8H8I2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3
InChI Key:
WXOMNFLCEZKUOU-UHFFFAOYSA-N
SMILES:
COc1c(I)cc(cc1I)CO
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.861g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.959g/mol
Monoisotopic Mass:
389.861g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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