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Home > Bromides > 1000342-18-6
1000342-18-6 | 1H-Indazole, 6-bromo-3-methyl-4-nitro-
CAS No: 1000342-18-6 Catalog No: AG0000IR MDL No:
Product Description
Catalog Number:
AG0000IR
Chemical Name:
1H-Indazole, 6-bromo-3-methyl-4-nitro-
CAS Number:
1000342-18-6
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
IUPAC Name:
6-bromo-3-methyl-4-nitro-2H-indazole
InChI:
InChI=1S/C8H6BrN3O2/c1-4-8-6(11-10-4)2-5(9)3-7(8)12(13)14/h2-3H,1H3,(H,10,11)
InChI Key:
FUSNIRNJKKPLEH-UHFFFAOYSA-N
SMILES:
Brc1cc2[nH]nc(c2c(c1)[N+](=O)[O-])C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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