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1350325-05-1 | 4-Iodo-3-methoxy-1h-pyrazole
CAS No: 1350325-05-1 Catalog No: AG00HTUC MDL No:MFCD27665102
Product Description
Catalog Number:
AG00HTUC
Chemical Name:
4-Iodo-3-methoxy-1h-pyrazole
CAS Number:
1350325-05-1
Molecular Formula:
C4H5IN2O
Molecular Weight:
223.9998
MDL Number:
MFCD27665102
IUPAC Name:
4-iodo-5-methoxy-1H-pyrazole
InChI:
InChI=1S/C4H5IN2O/c1-8-4-3(5)2-6-7-4/h2H,1H3,(H,6,7)
InChI Key:
AKAILQXICKUNET-UHFFFAOYSA-N
SMILES:
COc1n[nH]cc1I
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.945g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.001g/mol
Monoisotopic Mass:
223.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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