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1399654-06-8 | 4-(4-IODO-PHENYL)-1H-PYRAZOLE
CAS No: 1399654-06-8 Catalog No: AG01DYQC MDL No:MFCD22421405
Product Description
Catalog Number:
AG01DYQC
Chemical Name:
4-(4-IODO-PHENYL)-1H-PYRAZOLE
CAS Number:
1399654-06-8
Molecular Formula:
C9H7IN2
Molecular Weight:
270.0697
MDL Number:
MFCD22421405
IUPAC Name:
4-(4-iodophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H7IN2/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H,(H,11,12)
InChI Key:
YPBBBUABTHGEFM-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1c[nH]nc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
270.073g/mol
Monoisotopic Mass:
269.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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