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Home > Aldehydes > 294877-41-1
294877-41-1 | 1H-Pyrazole-4-carboxaldehyde, 1-(4-bromophenyl)-
CAS No: 294877-41-1 Catalog No: AG002YJS MDL No:MFCD03426979
Product Description
Catalog Number:
AG002YJS
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-(4-bromophenyl)-
CAS Number:
294877-41-1
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
MDL Number:
MFCD03426979
IUPAC Name:
1-(4-bromophenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H7BrN2O/c11-9-1-3-10(4-2-9)13-6-8(7-14)5-12-13/h1-7H
InChI Key:
CSVXEJDVTQWKNV-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)c1ccc(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
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