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99910-88-0 | 3-BROMO-1,2,4-BENZENETRIOL
CAS No: 99910-88-0 Catalog No: AG003VLV MDL No:
Product Description
Catalog Number:
AG003VLV
Chemical Name:
3-BROMO-1,2,4-BENZENETRIOL
CAS Number:
99910-88-0
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
IUPAC Name:
3-bromobenzene-1,2,4-triol
InChI:
InChI=1S/C6H5BrO3/c7-5-3(8)1-2-4(9)6(5)10/h1-2,8-10H
InChI Key:
LOODGNRNUNRBRR-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1Br)O)O
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.942g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.007g/mol
Monoisotopic Mass:
203.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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