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Home > Aldehydes > 1807546-65-1
1807546-65-1 | 1H-Pyrazole-5-carboxaldehyde, 3-bromo-4-iodo-1-methyl-
CAS No: 1807546-65-1 Catalog No: AG0022BR MDL No:
Product Description
Catalog Number:
AG0022BR
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 3-bromo-4-iodo-1-methyl-
CAS Number:
1807546-65-1
Molecular Formula:
C5H4BrIN2O
Molecular Weight:
314.9065
IUPAC Name:
5-bromo-4-iodo-2-methylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C5H4BrIN2O/c1-9-3(2-10)4(7)5(6)8-9/h2H,1H3
InChI Key:
ZDKNNLGUDTVOCH-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)nc(c1I)Br
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.855g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.908g/mol
Monoisotopic Mass:
313.855g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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