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1000344-11-5 | 3H-Indazol-3-one, 5-amino-4-bromo-1,2-dihydro-
CAS No: 1000344-11-5 Catalog No: AG0000LY MDL No:
Product Description
Catalog Number:
AG0000LY
Chemical Name:
3H-Indazol-3-one, 5-amino-4-bromo-1,2-dihydro-
CAS Number:
1000344-11-5
Molecular Formula:
C7H6BrN3O
Molecular Weight:
228.0460
IUPAC Name:
5-amino-4-bromo-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C7H6BrN3O/c8-6-3(9)1-2-4-5(6)7(12)11-10-4/h1-2H,9H2,(H2,10,11,12)
InChI Key:
UPUSBZFGLKRWIP-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1Br)c(=O)[nH][nH]2
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.049g/mol
Monoisotopic Mass:
226.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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