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Home > Nitro Compounds > 873920-66-2
873920-66-2 | 3-tert-butyl-4-nitro-1H-pyrazol-5-ol
CAS No: 873920-66-2 Catalog No: AG00IWV8 MDL No:MFCD19982803
Product Description
Catalog Number:
AG00IWV8
Chemical Name:
3-tert-butyl-4-nitro-1H-pyrazol-5-ol
CAS Number:
873920-66-2
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
MDL Number:
MFCD19982803
IUPAC Name:
5-tert-butyl-4-nitro-1,2-dihydropyrazol-3-one
InChI:
InChI=1S/C7H11N3O3/c1-7(2,3)5-4(10(12)13)6(11)9-8-5/h1-3H3,(H2,8,9,11)
InChI Key:
KFZCRAJRUGTZMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)[nH]nc1C(C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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