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1220039-77-9 | Ethanone, 1-(6-broMo-1H-indazol-3-yl)-
CAS No: 1220039-77-9 Catalog No: AG0016KT MDL No:MFCD15474902
Product Description
Catalog Number:
AG0016KT
Chemical Name:
Ethanone, 1-(6-broMo-1H-indazol-3-yl)-
CAS Number:
1220039-77-9
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD15474902
IUPAC Name:
1-(6-bromo-1H-indazol-3-yl)ethanone
InChI:
InChI=1S/C9H7BrN2O/c1-5(13)9-7-3-2-6(10)4-8(7)11-12-9/h2-4H,1H3,(H,11,12)
InChI Key:
LNAHWKUKPHEFST-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]nc2C(=O)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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