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Home > Nitro Compounds > 1152964-28-7
1152964-28-7 | 1-[3-Nitro-4-(1H-pyrazol-1-yl)phenyl]ethanone
CAS No: 1152964-28-7 Catalog No: AG00HCYX MDL No:MFCD11136848
Product Description
Catalog Number:
AG00HCYX
Chemical Name:
1-[3-Nitro-4-(1H-pyrazol-1-yl)phenyl]ethanone
CAS Number:
1152964-28-7
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD11136848
IUPAC Name:
1-(3-nitro-4-pyrazol-1-ylphenyl)ethanone
InChI:
InChI=1S/C11H9N3O3/c1-8(15)9-3-4-10(11(7-9)14(16)17)13-6-2-5-12-13/h2-7H,1H3
InChI Key:
QEMGEQGGFGUWTR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1n1cccn1)C(=O)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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