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1026893-32-2 | 1-benzyl-3-iodo-1H-pyrazole
CAS No: 1026893-32-2 Catalog No: AG01ABXG MDL No:MFCD12756565
Product Description
Catalog Number:
AG01ABXG
Chemical Name:
1-benzyl-3-iodo-1H-pyrazole
CAS Number:
1026893-32-2
Molecular Formula:
C10H9IN2
Molecular Weight:
284.0963
MDL Number:
MFCD12756565
IUPAC Name:
1-benzyl-3-iodopyrazole
InChI:
InChI=1S/C10H9IN2/c11-10-6-7-13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
MOWNQEYFXDLQQA-UHFFFAOYSA-N
SMILES:
Ic1ccn(n1)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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