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Home Aldehydes 5-broMo-3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

5-broMo-3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

CAS No.:
1188037-01-5
Catalog Number:
AG003MI1
Molecular Formula:
C17H13BrN2O2
Molecular Weight:
357.2013
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Product Description
Catalog Number:
AG003MI1
Chemical Name:
5-broMo-3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1188037-01-5
Molecular Formula:
C17H13BrN2O2
Molecular Weight:
357.2013
MDL Number:
MFCD09746343
IUPAC Name:
5-bromo-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C17H13BrN2O2/c1-22-14-9-7-12(8-10-14)16-15(11-21)17(18)20(19-16)13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
OEMWMRNELHHBMB-UHFFFAOYSA-N
SMILES:
O=Cc1c(nn(c1Br)c1ccccc1)c1ccc(cc1)OC
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.016g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.207g/mol
Monoisotopic Mass:
356.016g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties