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100962-02-5

100962-02-5 | Benzoic acid, 4-(2-quinoxalinylamino)-

CAS No: 100962-02-5 Catalog No: AG0003CB MDL No:MFCD00139085

Product Description

Catalog Number:
AG0003CB
Chemical Name:
Benzoic acid, 4-(2-quinoxalinylamino)-
CAS Number:
100962-02-5
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
MDL Number:
MFCD00139085
IUPAC Name:
4-(quinoxalin-2-ylamino)benzoic acid
InChI:
InChI=1S/C15H11N3O2/c19-15(20)10-5-7-11(8-6-10)17-14-9-16-12-3-1-2-4-13(12)18-14/h1-9H,(H,17,18)(H,19,20)
InChI Key:
GOVKQIYUNUCKKD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Nc1cnc2c(n1)cccc2

Properties

Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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

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