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Home > Nitro Compounds > 1022318-67-7
1022318-67-7 | 4-(2-nitrophenyl)-1H-pyrazole
CAS No: 1022318-67-7 Catalog No: AG01AB3S MDL No:MFCD03647058
Product Description
Catalog Number:
AG01AB3S
Chemical Name:
4-(2-nitrophenyl)-1H-pyrazole
CAS Number:
1022318-67-7
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD03647058
IUPAC Name:
4-(2-nitrophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H7N3O2/c13-12(14)9-4-2-1-3-8(9)7-5-10-11-6-7/h1-6H,(H,10,11)
InChI Key:
YHKKJSANXASGJT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1c[nH]nc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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