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885521-92-6 | 6-Bromo-1H-indazol-3-ol
CAS No: 885521-92-6 Catalog No: AG004CP8 MDL No:MFCD07781600
Product Description
Catalog Number:
AG004CP8
Chemical Name:
6-Bromo-1H-indazol-3-ol
CAS Number:
885521-92-6
Molecular Formula:
C7H5BrN2O
Molecular Weight:
213.0314
MDL Number:
MFCD07781600
IUPAC Name:
6-bromo-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
InChI Key:
JUWHHOSUZDEEQQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]nc2O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.034g/mol
Monoisotopic Mass:
211.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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