Home Nitros 6-nitro-4-(trifluoromethyl)-1H-indazole

6-nitro-4-(trifluoromethyl)-1H-indazole

CAS No.:
1169788-32-2
Catalog Number:
AG01EIFZ
Molecular Formula:
C8H4F3N3O2
Molecular Weight:
231.1315
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Product Description
Catalog Number:
AG01EIFZ
Chemical Name:
6-nitro-4-(trifluoromethyl)-1H-indazole
CAS Number:
1169788-32-2
Molecular Formula:
C8H4F3N3O2
Molecular Weight:
231.1315
MDL Number:
MFCD27993179
IUPAC Name:
6-nitro-4-(trifluoromethyl)-1H-indazole
InChI:
InChI=1S/C8H4F3N3O2/c9-8(10,11)6-1-4(14(15)16)2-7-5(6)3-12-13-7/h1-3H,(H,12,13)
InChI Key:
OQSAMGQYHIMFPN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c2c(c1)[nH]nc2)C(F)(F)F
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.026g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.134g/mol
Monoisotopic Mass:
231.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties