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1512429-29-6 | 3-IODO-1-(2-METHOXYETHYL)-1H-PYRAZOLE
CAS No: 1512429-29-6 Catalog No: AG01EL2X MDL No:MFCD23768996
Product Description
Catalog Number:
AG01EL2X
Chemical Name:
3-IODO-1-(2-METHOXYETHYL)-1H-PYRAZOLE
CAS Number:
1512429-29-6
Molecular Formula:
C6H9IN2O
Molecular Weight:
252.0529
MDL Number:
MFCD23768996
IUPAC Name:
3-iodo-1-(2-methoxyethyl)pyrazole
InChI:
InChI=1S/C6H9IN2O/c1-10-5-4-9-3-2-6(7)8-9/h2-3H,4-5H2,1H3
InChI Key:
CAHFGNSOQYYHHL-UHFFFAOYSA-N
SMILES:
COCCn1ccc(n1)I
Properties
Complexity:
102
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:
0
Isotope Atom Count:
0
Molecular Weight:
252.055g/mol
Monoisotopic Mass:
251.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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