Home Aminos 2-{[4-(difluoromethoxy)phenyl]amino}benzoic acid

2-{[4-(difluoromethoxy)phenyl]amino}benzoic acid

CAS No.:
51679-46-0
Catalog Number:
AG006U5V
Molecular Formula:
C14H11F2NO3
Molecular Weight:
279.2388
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Product Description
Catalog Number:
AG006U5V
Chemical Name:
2-{[4-(difluoromethoxy)phenyl]amino}benzoic acid
CAS Number:
51679-46-0
Molecular Formula:
C14H11F2NO3
Molecular Weight:
279.2388
MDL Number:
MFCD01675136
IUPAC Name:
2-[4-(difluoromethoxy)anilino]benzoic acid
InChI:
InChI=1S/C14H11F2NO3/c15-14(16)20-10-7-5-9(6-8-10)17-12-4-2-1-3-11(12)13(18)19/h1-8,14,17H,(H,18,19)
InChI Key:
VATLFRMTHALRQT-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)Nc1ccccc1C(=O)O)F
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.071g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
279.243g/mol
Monoisotopic Mass:
279.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties