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1000340-93-1 | 1H-Indazole, 3-chloro-4-fluoro-7-nitro-
CAS No: 1000340-93-1 Catalog No: AG0000F5 MDL No:
Product Description
Catalog Number:
AG0000F5
Chemical Name:
1H-Indazole, 3-chloro-4-fluoro-7-nitro-
CAS Number:
1000340-93-1
Molecular Formula:
C7H3ClFN3O2
Molecular Weight:
215.5690
IUPAC Name:
3-chloro-4-fluoro-7-nitro-2H-indazole
InChI:
InChI=1S/C7H3ClFN3O2/c8-7-5-3(9)1-2-4(12(13)14)6(5)10-11-7/h1-2H,(H,10,11)
InChI Key:
ITNYWOIQCVFZQO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1[nH]nc2Cl)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.568g/mol
Monoisotopic Mass:
214.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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