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Home > Nitro Compounds > 1375064-66-6
1375064-66-6 | Benzoic acid, 2-nitro-4-(1H-pyrazol-1-yl)-, ethyl ester
CAS No: 1375064-66-6 Catalog No: AG0013ET MDL No:MFCD22205849
Product Description
Catalog Number:
AG0013ET
Chemical Name:
Benzoic acid, 2-nitro-4-(1H-pyrazol-1-yl)-, ethyl ester
CAS Number:
1375064-66-6
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
MDL Number:
MFCD22205849
IUPAC Name:
ethyl 2-nitro-4-pyrazol-1-ylbenzoate
InChI:
InChI=1S/C12H11N3O4/c1-2-19-12(16)10-5-4-9(8-11(10)15(17)18)14-7-3-6-13-14/h3-8H,2H2,1H3
InChI Key:
GLXZTAMHMOVJEM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1[N+](=O)[O-])n1cccn1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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