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1823967-20-9 | 4-iodo-1-propyl-1H-pyrazole-5-carbaldehyde
CAS No: 1823967-20-9 Catalog No: AG01AOTQ MDL No:MFCD28962829
Product Description
Catalog Number:
AG01AOTQ
Chemical Name:
4-iodo-1-propyl-1H-pyrazole-5-carbaldehyde
CAS Number:
1823967-20-9
Molecular Formula:
C7H9IN2O
Molecular Weight:
264.0636
MDL Number:
MFCD28962829
IUPAC Name:
4-iodo-2-propylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C7H9IN2O/c1-2-3-10-7(5-11)6(8)4-9-10/h4-5H,2-3H2,1H3
InChI Key:
DBCIWPRMYLEVCI-UHFFFAOYSA-N
SMILES:
CCCn1ncc(c1C=O)I
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.976g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.066g/mol
Monoisotopic Mass:
263.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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