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1356998-41-8 | (4-iodo-1,3-dimethyl-1H-pyrazol-5-yl)methanol
CAS No: 1356998-41-8 Catalog No: AG01DHPR MDL No:MFCD22581605
Product Description
Catalog Number:
AG01DHPR
Chemical Name:
(4-iodo-1,3-dimethyl-1H-pyrazol-5-yl)methanol
CAS Number:
1356998-41-8
Molecular Formula:
C6H9IN2O
Molecular Weight:
252.0529
MDL Number:
MFCD22581605
IUPAC Name:
(4-iodo-2,5-dimethylpyrazol-3-yl)methanol
InChI:
InChI=1S/C6H9IN2O/c1-4-6(7)5(3-10)9(2)8-4/h10H,3H2,1-2H3
InChI Key:
FBUYLCVUXNTMHH-UHFFFAOYSA-N
SMILES:
OCc1n(C)nc(c1I)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.055g/mol
Monoisotopic Mass:
251.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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