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Home > Nitro Compounds > 1000340-87-3
1000340-87-3 | 1H-Indazole, 6-(1-methylethyl)-4-nitro-
CAS No: 1000340-87-3 Catalog No: AG0000FB MDL No:
Product Description
Catalog Number:
AG0000FB
Chemical Name:
1H-Indazole, 6-(1-methylethyl)-4-nitro-
CAS Number:
1000340-87-3
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
4-nitro-6-propan-2-yl-1H-indazole
InChI:
InChI=1S/C10H11N3O2/c1-6(2)7-3-9-8(5-11-12-9)10(4-7)13(14)15/h3-6H,1-2H3,(H,11,12)
InChI Key:
ZBXNMYBLEZPGEE-UHFFFAOYSA-N
SMILES:
CC(c1cc2[nH]ncc2c(c1)[N+](=O)[O-])C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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