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Home > Fluorides > 1000340-47-5
1000340-47-5 | 3H-Indazol-3-one, 4-fluoro-1,2-dihydro-5-nitro-
CAS No: 1000340-47-5 Catalog No: AG0000DN MDL No:
Product Description
Catalog Number:
AG0000DN
Chemical Name:
3H-Indazol-3-one, 4-fluoro-1,2-dihydro-5-nitro-
CAS Number:
1000340-47-5
Molecular Formula:
C7H4FN3O3
Molecular Weight:
197.1234
IUPAC Name:
4-fluoro-5-nitro-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C7H4FN3O3/c8-6-4(11(13)14)2-1-3-5(6)7(12)10-9-3/h1-2H,(H2,9,10,12)
InChI Key:
ZREKIIXTDGUEED-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c2c1c(F)c(cc2)[N+](=O)[O-]
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.125g/mol
Monoisotopic Mass:
197.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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