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Home > Nitro Compounds > 2142660-28-2
2142660-28-2 | 1-methyl-4-nitro-3-(propan-2-yloxy)-1H-pyrazole
CAS No: 2142660-28-2 Catalog No: AG01EIQF MDL No:MFCD31566819
Product Description
Catalog Number:
AG01EIQF
Chemical Name:
1-methyl-4-nitro-3-(propan-2-yloxy)-1H-pyrazole
CAS Number:
2142660-28-2
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
MDL Number:
MFCD31566819
IUPAC Name:
1-methyl-4-nitro-3-propan-2-yloxypyrazole
InChI:
InChI=1S/C7H11N3O3/c1-5(2)13-7-6(10(11)12)4-9(3)8-7/h4-5H,1-3H3
InChI Key:
HRSGYKLMWRWVCM-UHFFFAOYSA-N
SMILES:
CC(Oc1nn(cc1[N+](=O)[O-])C)C
Properties
Complexity:
192
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:
0
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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