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1855891-05-2 | methyl 3-(3-iodo-1H-pyrazol-1-yl)propanoate
CAS No: 1855891-05-2 Catalog No: AG01FIMD MDL No:
Product Description
Catalog Number:
AG01FIMD
Chemical Name:
methyl 3-(3-iodo-1H-pyrazol-1-yl)propanoate
CAS Number:
1855891-05-2
Molecular Formula:
C7H9IN2O2
Molecular Weight:
280.0630
IUPAC Name:
methyl 3-(3-iodopyrazol-1-yl)propanoate
InChI:
InChI=1S/C7H9IN2O2/c1-12-7(11)3-5-10-4-2-6(8)9-10/h2,4H,3,5H2,1H3
InChI Key:
ZYGUIMHHWQFZMT-UHFFFAOYSA-N
SMILES:
COC(=O)CCn1ccc(n1)I
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.971g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.065g/mol
Monoisotopic Mass:
279.971g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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