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1019007-92-1 | 3-(4-iodophenyl)-1H-pyrazole
CAS No: 1019007-92-1 Catalog No: AG01DUWZ MDL No:MFCD04035693
Product Description
Catalog Number:
AG01DUWZ
Chemical Name:
3-(4-iodophenyl)-1H-pyrazole
CAS Number:
1019007-92-1
Molecular Formula:
C9H7IN2
Molecular Weight:
270.0697
MDL Number:
MFCD04035693
IUPAC Name:
5-(4-iodophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H7IN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChI Key:
WPKJHQJJFLJCCT-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1cc[nH]n1
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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