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Home Other Building Blocks 4-[3-(Trifluoromethyl)-3h-diazirin-3-yl]benzoic acid

4-[3-(Trifluoromethyl)-3h-diazirin-3-yl]benzoic acid

CAS No.:
85559-46-2
Catalog Number:
AG0033VQ
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$150
- +
1g
98%
In Stock USA
United States
$525
- +
5g
98%
In Stock USA
United States
$1850
- +
Product Description
Catalog Number:
AG0033VQ
Chemical Name:
4-[3-(Trifluoromethyl)-3h-diazirin-3-yl]benzoic acid
CAS Number:
85559-46-2
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD19441381
IUPAC Name:
4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)
InChI Key:
CZPAJVBVULSLGG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.146g/mol
Monoisotopic Mass:
230.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
The binding site of the V-ATPase inhibitor apicularen is in the vicinity of those for bafilomycin and archazolid. The Journal of biological chemistry 20120914
Solid-liquid extraction and preconcentration of trace nickel using 2-nitroso-1-naphthol-4-sulfonic acid (Nitroso-S) and TDBA onto benzophenone and determination by atomic absorption spectrometry. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20030301
Development of a selective photoactivatable antagonist for corticotropin-releasing factor receptor, type 2 (CRF2). European journal of biochemistry 20021101
Column preconcentration of trace manganese with the ion pair of 2-nitroso-1-naphthol-4-sulfonic acid tetradecyldimethylbenzyl-ammonium chloride supported on naphthalene and determination by derivative spectrophotometry. Annali di chimica 20010101
Properties