Home Fluorides 1021243-16-2
1021243-16-2,MFCD11156505
Catalog No.:AA0006LC
1021243-16-2 | 3-Fluoro-4-pyrrolidinobenzoic acid
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1g
95%
in stock  
$100.00   $70.00
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5g
95%
in stock  
$381.00   $267.00
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10g
95%
in stock  
$667.00   $467.00
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25g
95%
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$1,334.00   $934.00
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Technical Information
Catalog Number:
AA0006LC
Chemical Name:
3-Fluoro-4-pyrrolidinobenzoic acid
CAS Number:
1021243-16-2
Molecular Formula:
C11H12FNO2
Molecular Weight:
209.2169
MDL Number:
MFCD11156505
IUPAC Name:
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H12FNO2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:
HXPJLYBFMBIXKY-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1N1CCCC1)C(=O)O
Properties
Computed Properties
 
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.22g/mol
Monoisotopic Mass:
209.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
1021243-16-2 
3-fluoro-4-pyrrolidinobenzoic acid 
AKOS000260129 
MCULE-8816586671 
NE39695 
AJ-76023 
CS-11149 
SY006937 
DB-058765 
TC-307445 
FT-0730129 
Benzoic acid, 3-fluoro-4-(1-pyrrolidinyl)- 
3-fluoro-4-(pyrrolidin-1-yl)benzoic acid 
EN300-71548 
MFCD11156505 (95%) 
Z234897455 
C11H12FNO2 
35276-83-6 
3-FLUORO-4-(1-PYRROLIDINYL)BENZOIC ACID 
3-Fluoro-4-pyrrolidinobenzoicAcid 
AC1Q730Q 
KS-00000CK0 
5876AJ 
MFCD11156505 
ZINC20079726 
Literature
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