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113800-64-9 | Phenol, 3,4,5-tribromo-2-methoxy-
CAS No: 113800-64-9 Catalog No: AG0009Q4 MDL No:
Product Description
Catalog Number:
AG0009Q4
Chemical Name:
Phenol, 3,4,5-tribromo-2-methoxy-
CAS Number:
113800-64-9
Molecular Formula:
C7H5Br3O2
Molecular Weight:
360.8254
IUPAC Name:
3,4,5-tribromo-2-methoxyphenol
InChI:
InChI=1S/C7H5Br3O2/c1-12-7-4(11)2-3(8)5(9)6(7)10/h2,11H,1H3
InChI Key:
SXFRJHBJMRWAPL-UHFFFAOYSA-N
SMILES:
COc1c(O)cc(c(c1Br)Br)Br
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.782g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.827g/mol
Monoisotopic Mass:
357.784g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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