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87911-78-2 | Benzenediol, dibromo-
CAS No: 87911-78-2 Catalog No: AG004FF5 MDL No:
Product Description
Catalog Number:
AG004FF5
Chemical Name:
Benzenediol, dibromo-
CAS Number:
87911-78-2
Molecular Formula:
C6H4Br2O2
Molecular Weight:
267.9028
IUPAC Name:
3,4-dibromobenzene-1,2-diol
InChI:
InChI=1S/C6H4Br2O2/c7-3-1-2-4(9)6(10)5(3)8/h1-2,9-10H
InChI Key:
YASQDPIHJJNBIC-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1O)Br)Br
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.856g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.904g/mol
Monoisotopic Mass:
265.858g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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