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1408334-75-7 | 1H-Pyrazole-1-ethanol, 4-iodo-
CAS No: 1408334-75-7 Catalog No: AG001CUX MDL No:MFCD16619492
Product Description
Catalog Number:
AG001CUX
Chemical Name:
1H-Pyrazole-1-ethanol, 4-iodo-
CAS Number:
1408334-75-7
Molecular Formula:
C5H7IN2O
Molecular Weight:
238.0263
MDL Number:
MFCD16619492
IUPAC Name:
2-(4-iodopyrazol-1-yl)ethanol
InChI:
InChI=1S/C5H7IN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
InChI Key:
BQTYRYUORKTCJO-UHFFFAOYSA-N
SMILES:
OCCn1cc(cn1)I
Properties
Complexity:
91
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.96g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.028g/mol
Monoisotopic Mass:
237.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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