Home Fluorides 1003708-42-6
1003708-42-6,MFCD04974123
Catalog No.:AA0001OA
1003708-42-6 | 3-Fluoro-5-formylbenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$60.00   $42.00
- +
1g
95%
in stock  
$98.00   $68.00
- +
5g
95%
in stock  
$206.00   $144.00
- +
25g
95%
in stock  
$784.00   $549.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0001OA
Chemical Name:
3-Fluoro-5-formylbenzonitrile
CAS Number:
1003708-42-6
Molecular Formula:
C8H4FNO
Molecular Weight:
149.1219
MDL Number:
MFCD04974123
IUPAC Name:
3-fluoro-5-formylbenzonitrile
InChI:
InChI=1S/C8H4FNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,5H
InChI Key:
MJDZWYNXMPFSJE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#N)cc(c1)F
Properties
Computed Properties
 
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.028g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.124g/mol
Monoisotopic Mass:
149.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
3-FLUORO-5-FORMYLBENZONITRILE 
1003708-42-6 
MJDZWYNXMPFSJE-UHFFFAOYSA-N 
Benzonitrile, 3-fluoro-5-formyl- 
ACT00824 
KS-00000HS1 
ZINC2541528 
ANW-49897 
CL8322 
AKOS006292954 
AB21501 
AS05573 
3-Cyano-5-fluorobenzaldehyde 
CM11914 
CS-W018980 
LF-0225 
LS10266 
QC-9005 
RP09969 
AJ-39191 
AK-59883 
BR-59883 
CJ-09247 
MFCD04974123 
SC-49125 
AB0034358 
DB-011180 
TC-138642 
4CH-008619 
AM20061042 
FT-0684531 
ST24028524 
X8502 
S-6629 
PubChem4774 
I01-6639 
J-512520 
I01-15306 
C8H4FNO 
ACN-050412 
3-fluoro-5-formylbenzonitrile, 95% - 1G 1g 
fluoroformylbenzonitrile 
SCHEMBL77140 
5-Cyano-3-fluorobenzaldehyde 
CTK8B5742 
DTXSID30660590 
Literature
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