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1000340-91-9 | 1H-Indazole, 3-iodo-6-(1-methylethyl)-4-nitro-
CAS No: 1000340-91-9 Catalog No: AG0000F7 MDL No:
Product Description
Catalog Number:
AG0000F7
Chemical Name:
1H-Indazole, 3-iodo-6-(1-methylethyl)-4-nitro-
CAS Number:
1000340-91-9
Molecular Formula:
C10H10IN3O2
Molecular Weight:
331.1098
IUPAC Name:
3-iodo-4-nitro-6-propan-2-yl-2H-indazole
InChI:
InChI=1S/C10H10IN3O2/c1-5(2)6-3-7-9(10(11)13-12-7)8(4-6)14(15)16/h3-5H,1-2H3,(H,12,13)
InChI Key:
CIRRGFDFBGARJC-UHFFFAOYSA-N
SMILES:
CC(c1cc([N+](=O)[O-])c2c(c1)[nH]nc2I)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.982g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.113g/mol
Monoisotopic Mass:
330.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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