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Home > Aldehydes > 1269293-53-9
1269293-53-9 | 1H-Pyrazole-5-carboxaldehyde, 1-(4-bromophenyl)-
CAS No: 1269293-53-9 Catalog No: AG000WD6 MDL No:MFCD20275389
Product Description
Catalog Number:
AG000WD6
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 1-(4-bromophenyl)-
CAS Number:
1269293-53-9
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
MDL Number:
MFCD20275389
IUPAC Name:
2-(4-bromophenyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C10H7BrN2O/c11-8-1-3-9(4-2-8)13-10(7-14)5-6-12-13/h1-7H
InChI Key:
NLGXMTNUVZZUNC-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1c1ccc(cc1)Br
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.083g/mol
Monoisotopic Mass:
249.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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