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172282-34-7 | 1H-pyrazole, 1-ethyl-4-iodo-
CAS No: 172282-34-7 Catalog No: AG00ALZW MDL No:MFCD13195706
Product Description
Catalog Number:
AG00ALZW
Chemical Name:
1H-pyrazole, 1-ethyl-4-iodo-
CAS Number:
172282-34-7
Molecular Formula:
C5H7IN2
Molecular Weight:
222.0269
MDL Number:
MFCD13195706
IUPAC Name:
1-ethyl-4-iodopyrazole
InChI:
InChI=1S/C5H7IN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChI Key:
XWZIDZDMNYAEOP-UHFFFAOYSA-N
SMILES:
CCn1cc(cn1)I
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.965g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.029g/mol
Monoisotopic Mass:
221.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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