Home Aldehydes 875664-59-8
875664-59-8,MFCD06797905
Catalog No.:AA003HZ5
875664-59-8 | 3-(3,5-Difluorophenyl)-1h-pyrazole-4-carbaldehyde
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Technical Information
Catalog Number:
AA003HZ5
Chemical Name:
3-(3,5-Difluorophenyl)-1h-pyrazole-4-carbaldehyde
CAS Number:
875664-59-8
Molecular Formula:
C10H6F2N2O
Molecular Weight:
208.1642
MDL Number:
MFCD06797905
IUPAC Name:
5-(3,5-difluorophenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H6F2N2O/c11-8-1-6(2-9(12)3-8)10-7(5-15)4-13-14-10/h1-5H,(H,13,14)
InChI Key:
WYPNQEHRMYDLFU-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1cc(F)cc(c1)F
Properties
Computed Properties
 
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.045g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.168g/mol
Monoisotopic Mass:
208.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
875664-59-8 
3-(3,5-difluorophenyl)-1H-pyrazole-4-carbaldehyde 
KM2530 
SBB093999 
ZINC12359150 
AKOS005257871 
PS-8040 
SC-31932 
RT-008341 
3-(3,5-difluorophenyl)pyrazole-4-carbaldehyde 
1H-Pyrazole-4-carboxaldehyde,3-(3,5-difluorophenyl)- 
3-(3,5-Difluorophenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR 
3-(3,5-Difluorophenyl)-1H-pyrazole-4-carboxaldehyde 
CID2783157 
3-(3,5-difluorophenyl)-2H-pyrazole-4-carbaldehyde 
MFCD06797905 
5-(3,5-difluorophenyl)-1H-pyrazole-4-carbaldehyde 
AC1MD3W2 
SCHEMBL1336301 
CTK5F8698 
DTXSID50382469 
KS-00003R6W 
Literature
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