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1217862-88-8 | 3-(4-Iodo-1H-pyrazol-1-yl)propanamide
CAS No: 1217862-88-8 Catalog No: AG00HGGB MDL No:MFCD15146430
Product Description
Catalog Number:
AG00HGGB
Chemical Name:
3-(4-Iodo-1H-pyrazol-1-yl)propanamide
CAS Number:
1217862-88-8
Molecular Formula:
C6H8IN3O
Molecular Weight:
265.0517
MDL Number:
MFCD15146430
IUPAC Name:
3-(4-iodopyrazol-1-yl)propanamide
InChI:
InChI=1S/C6H8IN3O/c7-5-3-9-10(4-5)2-1-6(8)11/h3-4H,1-2H2,(H2,8,11)
InChI Key:
CQBGMDUOEZKOBT-UHFFFAOYSA-N
SMILES:
NC(=O)CCn1cc(cn1)I
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.971g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.054g/mol
Monoisotopic Mass:
264.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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