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368869-86-7 | 1-(4-IODOPHENYL)-1H-PYRAZOLE
CAS No: 368869-86-7 Catalog No: AG00BXL7 MDL No:MFCD02681941
Product Description
Catalog Number:
AG00BXL7
Chemical Name:
1-(4-IODOPHENYL)-1H-PYRAZOLE
CAS Number:
368869-86-7
Molecular Formula:
C9H7IN2
Molecular Weight:
270.0697
MDL Number:
MFCD02681941
IUPAC Name:
1-(4-iodophenyl)pyrazole
InChI:
InChI=1S/C9H7IN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
InChI Key:
ADIQBEMLKKKISJ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)n1cccn1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.073g/mol
Monoisotopic Mass:
269.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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