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Home > Nitro Compounds > 123532-21-8
123532-21-8 | 2-(1-methyl-1H-pyrazol-3-yl)-4-nitrophenol
CAS No: 123532-21-8 Catalog No: AG01C9JR MDL No:MFCD31451462
Product Description
Catalog Number:
AG01C9JR
Chemical Name:
2-(1-methyl-1H-pyrazol-3-yl)-4-nitrophenol
CAS Number:
123532-21-8
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD31451462
IUPAC Name:
2-(1-methylpyrazol-3-yl)-4-nitrophenol
InChI:
InChI=1S/C10H9N3O3/c1-12-5-4-9(11-12)8-6-7(13(15)16)2-3-10(8)14/h2-6,14H,1H3
InChI Key:
ADWMBUXMMQYSHY-UHFFFAOYSA-N
SMILES:
Cn1ccc(n1)c1cc(ccc1O)[N+](=O)[O-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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