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Home > Nitro Compounds > 825611-41-4
825611-41-4 | Phenol, 2-[5-[(1E)-2-(4-nitrophenyl)ethenyl]-1H-pyrazol-3-yl]-
CAS No: 825611-41-4 Catalog No: AG005DXE MDL No:
Product Description
Catalog Number:
AG005DXE
Chemical Name:
Phenol, 2-[5-[(1E)-2-(4-nitrophenyl)ethenyl]-1H-pyrazol-3-yl]-
CAS Number:
825611-41-4
Molecular Formula:
C17H13N3O3
Molecular Weight:
307.3034
IUPAC Name:
2-[5-[2-(4-nitrophenyl)ethenyl]-1H-pyrazol-3-yl]phenol
InChI:
InChI=1S/C17H13N3O3/c21-17-4-2-1-3-15(17)16-11-13(18-19-16)8-5-12-6-9-14(10-7-12)20(22)23/h1-11,21H,(H,18,19)
InChI Key:
ABJOCARVYBGUQX-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1n[nH]c(c1)/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.309g/mol
Monoisotopic Mass:
307.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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