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Home > Nitro Compounds > 477710-91-1
477710-91-1 | 1,3-dimethyl-4-[(E)-2-nitroethenyl]-5-phenoxy-1H-pyrazole
CAS No: 477710-91-1 Catalog No: AG00IS7E MDL No:MFCD01814748
Product Description
Catalog Number:
AG00IS7E
Chemical Name:
1,3-dimethyl-4-[(E)-2-nitroethenyl]-5-phenoxy-1H-pyrazole
CAS Number:
477710-91-1
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD01814748
IUPAC Name:
1,3-dimethyl-4-(2-nitroethenyl)-5-phenoxypyrazole
InChI:
InChI=1S/C13H13N3O3/c1-10-12(8-9-16(17)18)13(15(2)14-10)19-11-6-4-3-5-7-11/h3-9H,1-2H3
InChI Key:
RDEOPWIRRUUEGY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=C/c1c(C)nn(c1Oc1ccccc1)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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