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101421-19-6 | Benzoic acid, 2,5-dibromo-4-hydroxy-
CAS No: 101421-19-6 Catalog No: AG0004GW MDL No:
Product Description
Catalog Number:
AG0004GW
Chemical Name:
Benzoic acid, 2,5-dibromo-4-hydroxy-
CAS Number:
101421-19-6
Molecular Formula:
C7H4Br2O3
Molecular Weight:
295.9129
IUPAC Name:
2,5-dibromo-4-hydroxybenzoic acid
InChI:
InChI=1S/C7H4Br2O3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,10H,(H,11,12)
InChI Key:
NDEWEMOLYCSDSE-UHFFFAOYSA-N
SMILES:
Brc1cc(C(=O)O)c(cc1O)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.851g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.914g/mol
Monoisotopic Mass:
293.853g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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