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Home > Bromides > 1000340-94-2
1000340-94-2 | 1H-Indazole-3-carbonitrile, 6-bromo-4-fluoro-
CAS No: 1000340-94-2 Catalog No: AG0000F4 MDL No:
Product Description
Catalog Number:
AG0000F4
Chemical Name:
1H-Indazole-3-carbonitrile, 6-bromo-4-fluoro-
CAS Number:
1000340-94-2
Molecular Formula:
C8H3BrFN3
Molecular Weight:
240.0319
IUPAC Name:
6-bromo-4-fluoro-1H-indazole-3-carbonitrile
InChI:
InChI=1S/C8H3BrFN3/c9-4-1-5(10)8-6(2-4)12-13-7(8)3-11/h1-2H,(H,12,13)
InChI Key:
ORJNWCYRTPZUCK-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c2c1c(F)cc(c2)Br
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.035g/mol
Monoisotopic Mass:
238.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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