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89187-90-6 | Phenol, 2,4,5-tribromo-3-methyl-
CAS No: 89187-90-6 Catalog No: AG003VQD MDL No:
Product Description
Catalog Number:
AG003VQD
Chemical Name:
Phenol, 2,4,5-tribromo-3-methyl-
CAS Number:
89187-90-6
Molecular Formula:
C7H5Br3O
Molecular Weight:
344.8260
IUPAC Name:
2,4,5-tribromo-3-methylphenol
InChI:
InChI=1S/C7H5Br3O/c1-3-6(9)4(8)2-5(11)7(3)10/h2,11H,1H3
InChI Key:
OHRBZDZGCWHOPT-UHFFFAOYSA-N
SMILES:
Brc1c(O)cc(c(c1C)Br)Br
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.787g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.828g/mol
Monoisotopic Mass:
341.789g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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