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575452-22-1 | 1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole
CAS No: 575452-22-1 Catalog No: AG00ECFV MDL No:MFCD22123601
Product Description
Catalog Number:
AG00ECFV
Chemical Name:
1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole
CAS Number:
575452-22-1
Molecular Formula:
C7H11IN2O
Molecular Weight:
266.0795
MDL Number:
MFCD22123601
IUPAC Name:
1-(1-ethoxyethyl)-4-iodopyrazole
InChI:
InChI=1S/C7H11IN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
InChI Key:
XPDWYXNGYUFNEG-UHFFFAOYSA-N
SMILES:
CC(n1cc(cn1)I)OCC
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.992g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.082g/mol
Monoisotopic Mass:
265.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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