Home Fluorides 825-98-9
825-98-9,MFCD07774250
Catalog No.:AA00G34G
825-98-9 | 3-Fluoro-4-iodobenzoic acid
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250mg
97%
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10g
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Technical Information
Catalog Number:
AA00G34G
Chemical Name:
3-Fluoro-4-iodobenzoic acid
CAS Number:
825-98-9
Molecular Formula:
C7H4FIO2
Molecular Weight:
266.0083
MDL Number:
MFCD07774250
IUPAC Name:
3-fluoro-4-iodobenzoic acid
InChI:
InChI=1S/C7H4FIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChI Key:
KPMBAMKKTJSICO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)F)I
Properties
Computed Properties
 
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.924g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.01g/mol
Monoisotopic Mass:
265.924g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
3-fluoro-4-iodobenzoic acid 
825-98-9 
1H-Imidazole,1-(4-nitrophenyl)- 
3-fluoranyl-4-iodanyl-benzoic acid 
AC1Q7311 
ACT00806 
ANW-49727 
MFCD07774250 
ZINC26892809 
AKOS015890239 
AM61677 
CM12739 
3-Fluoro-4-Iodobenzoicacid 
CS-W003418 
GS-4105 
MCULE-1083812065 
RP29475 
TF10448 
3-Fluoro-4-iodobenzoic acid, AldrichCPR 
AC-26048 
AJ-82664 
AK-36475 
BR-36475 
Benzoic acid, 3-fluoro-4-iodo- 
SC-06875 
SY023172 
AB0031401 
RT-025026 
ST2410688 
FT-0657938 
X4487 
EN300-69554 
MFCD07774250 (95%) 
S-2842 
PubChem1388 
A816487 
I01-6268 
J-512489 
Z1259273132 
C7H4FIO2 
A15969 
2301-25-9 
SCHEMBL788761 
CTK4F0683 
KS-00000NLX 
DTXSID40625231 
KPMBAMKKTJSICO-UHFFFAOYSA-N 
Literature
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