Home Halogens 1H-Indazole, 1-acetyl-5-bromo-6-fluoro-

1H-Indazole, 1-acetyl-5-bromo-6-fluoro-

CAS No.:
633335-81-6
Catalog Number:
AG00IB76
Molecular Formula:
C9H6BrFN2O
Molecular Weight:
257.0591
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Product Description
Catalog Number:
AG00IB76
Chemical Name:
1H-Indazole, 1-acetyl-5-bromo-6-fluoro-
CAS Number:
633335-81-6
Molecular Formula:
C9H6BrFN2O
Molecular Weight:
257.0591
MDL Number:
MFCD17926217
IUPAC Name:
1-(5-bromo-6-fluoroindazol-1-yl)ethanone
InChI:
InChI=1S/C9H6BrFN2O/c1-5(14)13-9-3-8(11)7(10)2-6(9)4-12-13/h2-4H,1H3
InChI Key:
FHZJEEQHCPTPHK-UHFFFAOYSA-N
SMILES:
Brc1cc2cnn(c2cc1F)C(=O)C
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.965g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.062g/mol
Monoisotopic Mass:
255.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties