Home Nitros 1-(3-nitrophenyl)-1H-pyrazole

1-(3-nitrophenyl)-1H-pyrazole

CAS No.:
25688-18-0
Catalog Number:
AG00BJOO
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
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Product Description
Catalog Number:
AG00BJOO
Chemical Name:
1-(3-nitrophenyl)-1H-pyrazole
CAS Number:
25688-18-0
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD12192642
IUPAC Name:
1-(3-nitrophenyl)pyrazole
InChI:
InChI=1S/C9H7N3O2/c13-12(14)9-4-1-3-8(7-9)11-6-2-5-10-11/h1-7H
InChI Key:
WTFRZFHXSRGFQB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)n1cccn1
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:
0
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties