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Home Other Building Blocks 4-(1,3-Benzoxazol-2-yl)aniline

4-(1,3-Benzoxazol-2-yl)aniline

CAS No.:
20934-81-0
Catalog Number:
AG002K6X
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
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Product Description
Catalog Number:
AG002K6X
Chemical Name:
4-(1,3-Benzoxazol-2-yl)aniline
CAS Number:
20934-81-0
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD00453046
IUPAC Name:
4-(1,3-benzoxazol-2-yl)aniline
InChI:
InChI=1S/C13H10N2O/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2
InChI Key:
XZYQBYQGHHGXBC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1nc2c(o1)cccc2
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis, characterization, and spectroscopic investigation of benzoxazole conjugated Schiff bases. The journal of physical chemistry. A 20111124
2-(4-Amino-phen-yl)-1,3-benzoxazole. Acta crystallographica. Section E, Structure reports online 20080701
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
Biological evaluation of hepatitis C virus helicase inhibitors. Bioorganic & medicinal chemistry letters 20010709
Synthesis and microbiological activity of some N-(o-hydroxyphenyl)benzamides and phenylacetamides as the possible metabolites of antimicrobial active benzoxazoles: part II. Farmaco (Societa chimica italiana : 1989) 20000101
Properties