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864845-15-8 | 4-Bromo-1H-indazol-3(2H)-one
CAS No: 864845-15-8 Catalog No: AG003KUW MDL No:MFCD13176950
Product Description
Catalog Number:
AG003KUW
Chemical Name:
4-Bromo-1H-indazol-3(2H)-one
CAS Number:
864845-15-8
Molecular Formula:
C7H5BrN2O
Molecular Weight:
213.0314
MDL Number:
MFCD13176950
IUPAC Name:
4-bromo-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)7(11)10-9-5/h1-3H,(H2,9,10,11)
InChI Key:
AOSWBTIWUXRHRT-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1c(=O)[nH][nH]2
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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