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50877-42-4 | 1-Benzyl-4-iodo-1H-pyrazole
CAS No: 50877-42-4 Catalog No: AG003E02 MDL No:MFCD04038745
Product Description
Catalog Number:
AG003E02
Chemical Name:
1-Benzyl-4-iodo-1H-pyrazole
CAS Number:
50877-42-4
Molecular Formula:
C10H9IN2
Molecular Weight:
284.0963
MDL Number:
MFCD04038745
IUPAC Name:
1-benzyl-4-iodopyrazole
InChI:
InChI=1S/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChI Key:
PVEYRBGIYMWFPB-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)Cc1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.1g/mol
Monoisotopic Mass:
283.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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