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Home > Aldehydes > 1490258-50-8
1490258-50-8 | 1-(4-iodophenyl)-1H-1,2,3-triazole-4-carbaldehyde
CAS No: 1490258-50-8 Catalog No: AG01BO9S MDL No:MFCD21715550
Product Description
Catalog Number:
AG01BO9S
Chemical Name:
1-(4-iodophenyl)-1H-1,2,3-triazole-4-carbaldehyde
CAS Number:
1490258-50-8
Molecular Formula:
C9H6IN3O
Molecular Weight:
299.0679
MDL Number:
MFCD21715550
IUPAC Name:
1-(4-iodophenyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C9H6IN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-6H
InChI Key:
RTMOUTORDNGUMS-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1)c1ccc(cc1)I
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.956g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.071g/mol
Monoisotopic Mass:
298.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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