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23889-85-2 | 1-Phenyl-4-iodopyrazole
CAS No: 23889-85-2 Catalog No: AG00BFJM MDL No:MFCD11707168
Product Description
Catalog Number:
AG00BFJM
Chemical Name:
1-Phenyl-4-iodopyrazole
CAS Number:
23889-85-2
Molecular Formula:
C9H7IN2
Molecular Weight:
270.0697
MDL Number:
MFCD11707168
IUPAC Name:
4-iodo-1-phenylpyrazole
InChI:
InChI=1S/C9H7IN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H
InChI Key:
PYJVDCYRDQUUKO-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)c1ccccc1
Properties
Complexity:
146
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:
2.5
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