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Home > Nitro Compounds > 1429417-82-2
1429417-82-2 | 4-[(1-methyl-4-nitro-1H-pyrazol-3-yl)oxy]benzoic acid
CAS No: 1429417-82-2 Catalog No: AG00JG7O MDL No:MFCD24540644
Product Description
Catalog Number:
AG00JG7O
Chemical Name:
4-[(1-methyl-4-nitro-1H-pyrazol-3-yl)oxy]benzoic acid
CAS Number:
1429417-82-2
Molecular Formula:
C11H9N3O5
Molecular Weight:
263.2063
MDL Number:
MFCD24540644
IUPAC Name:
4-(1-methyl-4-nitropyrazol-3-yl)oxybenzoic acid
InChI:
InChI=1S/C11H9N3O5/c1-13-6-9(14(17)18)10(12-13)19-8-4-2-7(3-5-8)11(15)16/h2-6H,1H3,(H,15,16)
InChI Key:
OJQONFWSGXETFI-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)C(=O)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.209g/mol
Monoisotopic Mass:
263.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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