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Home > Aldehydes > 873913-40-7
873913-40-7 | 1H-Pyrazole-4-carboxaldehyde, 5-amino-3-(4-bromophenyl)-1-phenyl-
CAS No: 873913-40-7 Catalog No: AG004JVN MDL No:
Product Description
Catalog Number:
AG004JVN
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 5-amino-3-(4-bromophenyl)-1-phenyl-
CAS Number:
873913-40-7
Molecular Formula:
C16H12BrN3O
Molecular Weight:
342.1900
IUPAC Name:
5-amino-3-(4-bromophenyl)-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C16H12BrN3O/c17-12-8-6-11(7-9-12)15-14(10-21)16(18)20(19-15)13-4-2-1-3-5-13/h1-10H,18H2
InChI Key:
DGBCRMPUOLMWHW-UHFFFAOYSA-N
SMILES:
O=Cc1c(nn(c1N)c1ccccc1)c1ccc(cc1)Br
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.016g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.196g/mol
Monoisotopic Mass:
341.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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