Home Fluorides 1141669-65-9
1141669-65-9,MFCD11053553
Catalog No.:AA000AMV
1141669-65-9 | 4-Fluoro-5-(1h-imidazol-1-yl)-2-nitrobenzoic acid
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1g
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Technical Information
Catalog Number:
AA000AMV
Chemical Name:
4-Fluoro-5-(1h-imidazol-1-yl)-2-nitrobenzoic acid
CAS Number:
1141669-65-9
Molecular Formula:
C10H6FN3O4
Molecular Weight:
251.1707
MDL Number:
MFCD11053553
IUPAC Name:
4-fluoro-5-imidazol-1-yl-2-nitrobenzoic acid
InChI:
InChI=1S/C10H6FN3O4/c11-7-4-8(14(17)18)6(10(15)16)3-9(7)13-2-1-12-5-13/h1-5H,(H,15,16)
InChI Key:
MRXQKKIAHFIDNX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(cc1[N+](=O)[O-])F)n1cncc1
Properties
Computed Properties
 
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.034g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.173g/mol
Monoisotopic Mass:
251.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
1141669-65-9 
4-FLUORO-5-(1H-IMIDAZOL-1-YL)-2-NITROBENZOIC ACID 
TRA0034822 
AS-32476 
SY004949 
AB0065229 
AJ-104510 
AX8173681 
DB-014511 
TC-307694 
FT-0710661 
4-Fluoro-5-(1-imidazolyl)-2-nitrobenzoicAcid 
4-Fluoro-5-(1-imidazolyl)-2-nitrobenzoic Acid 
4-fluoro-5-imidazol-1-yl-2-nitrobenzoic acid 
K-1024 
MFCD11656823 (95+%) 
Benzoic acid, 4-fluoro-5-(1H-imidazol-1-yl)-2-nitro- 
C10H6FN3O4 
77359-11-6 
CTK7I6639 
KS-00000CGM 
6170AJ 
MFCD11656823 
ZINC42684297 
AKOS011264886 
IMED905249499 
Literature
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