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1000341-08-1 | 1H-Indazole, 6-methoxy-4-nitro-
CAS No: 1000341-08-1 Catalog No: AG0000G5 MDL No:
Product Description
Catalog Number:
AG0000G5
Chemical Name:
1H-Indazole, 6-methoxy-4-nitro-
CAS Number:
1000341-08-1
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
IUPAC Name:
6-methoxy-4-nitro-1H-indazole
InChI:
InChI=1S/C8H7N3O3/c1-14-5-2-7-6(4-9-10-7)8(3-5)11(12)13/h2-4H,1H3,(H,9,10)
InChI Key:
ACUQZJBBTADFHU-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]ncc2c(c1)[N+](=O)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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