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13321-76-1 | Phenol, 2,4-dibromo-5-methyl-
CAS No: 13321-76-1 Catalog No: AG0014FN MDL No:
Product Description
Catalog Number:
AG0014FN
Chemical Name:
Phenol, 2,4-dibromo-5-methyl-
CAS Number:
13321-76-1
Molecular Formula:
C7H6Br2O
Molecular Weight:
265.9299
IUPAC Name:
2,4-dibromo-5-methylphenol
InChI:
InChI=1S/C7H6Br2O/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3
InChI Key:
ADALAQNFYPXDMH-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(cc1Br)Br
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.876g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.932g/mol
Monoisotopic Mass:
263.879g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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