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Home > Nitro Compounds > 1020252-56-5
1020252-56-5 | 3-tert-butyl-2-methyl-6-nitro-2H,4H-indeno[1,2-c]pyrazol-4-one
CAS No: 1020252-56-5 Catalog No: AG00IX8B MDL No:MFCD00129304
Product Description
Catalog Number:
AG00IX8B
Chemical Name:
3-tert-butyl-2-methyl-6-nitro-2H,4H-indeno[1,2-c]pyrazol-4-one
CAS Number:
1020252-56-5
Molecular Formula:
C15H15N3O3
Molecular Weight:
285.2979
MDL Number:
MFCD00129304
IUPAC Name:
3-tert-butyl-2-methyl-6-nitroindeno[1,2-c]pyrazol-4-one
InChI:
InChI=1S/C15H15N3O3/c1-15(2,3)14-11-12(16-17(14)4)9-6-5-8(18(20)21)7-10(9)13(11)19/h5-7H,1-4H3
InChI Key:
PDAMVENKOQSMFR-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2c2c1c(n(n2)C)C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.303g/mol
Monoisotopic Mass:
285.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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