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Home > Aldehydes > 289504-53-6
289504-53-6 | 1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-[(4-chlorophenyl)methyl]-
CAS No: 289504-53-6 Catalog No: AG002X66 MDL No:
Product Description
Catalog Number:
AG002X66
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-[(4-chlorophenyl)methyl]-
CAS Number:
289504-53-6
Molecular Formula:
C11H8BrClN2O
Molecular Weight:
299.5510
IUPAC Name:
4-bromo-2-[(4-chlorophenyl)methyl]pyrazole-3-carbaldehyde
InChI:
InChI=1S/C11H8BrClN2O/c12-10-5-14-15(11(10)7-16)6-8-1-3-9(13)4-2-8/h1-5,7H,6H2
InChI Key:
MRWIPJMPNFCPIL-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)cnn1Cc1ccc(cc1)Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.552g/mol
Monoisotopic Mass:
297.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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