Home Fluorides 327056-74-6
327056-74-6,MFCD05663717
Catalog No.:AA00I65F
327056-74-6 | Benzoic acid, 3-cyano-5-fluoro-
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1g
95%
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5g
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA00I65F
Chemical Name:
Benzoic acid, 3-cyano-5-fluoro-
CAS Number:
327056-74-6
Molecular Formula:
C8H4FNO2
Molecular Weight:
165.1213
MDL Number:
MFCD05663717
IUPAC Name:
3-cyano-5-fluorobenzoic acid
InChI:
InChI=1S/C8H4FNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H,11,12)
InChI Key:
HADZSOZVTCEMNP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.023g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.123g/mol
Monoisotopic Mass:
165.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
3-cyano-5-fluorobenzoic acid 
327056-74-6 
DTXSID80374094 
3-cyano-5-fluoranyl-benzoic acid 
HADZSOZVTCEMNP-UHFFFAOYSA-N 
ZINC2547829 
3-Cyano-5-fluorobenzoic acid 98% 
ANW-73786 
CC-905 
CK1079 
MFCD05663717 
SBB087878 
3-cyano-5-fluoro-benzoic Acid 
AKOS006223166 
AB21903 
AS00929 
FS-1349 
RTR-013724 
AJ-39421 
AK-80278 
AN-28820 
SC-49561 
3-Cyano-5-fluorobenzoic acid, AldrichCPR 
BENZOIC ACID, 3-CYANO-5-FLUORO- 
AB0030598 
TR-013724 
4CH-021911 
FT-0677164 
ST24042106 
X2806 
A821380 
I01-13051 
3-Cyano-5-fluorobenzoicacid 
C8H4FNO2 
AC1MBX2O 
CID2757963 
Benzoic acid, 3-cyano-5-fluoro- (9CI) 
3-Fluoro-5-cyanobenzoic acid 
SCHEMBL505097 
3-Carboxy-5-fluorobenzonitrile 
CTK1C2203 
KS-00003KCS 
Literature
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