Home Other Building Blocks 2-{[5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

2-{[5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

CAS No.:
919466-69-6
Catalog Number:
AG019US4
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
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Product Description
Catalog Number:
AG019US4
Chemical Name:
2-{[5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
CAS Number:
919466-69-6
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
MDL Number:
MFCD11857935
IUPAC Name:
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
InChI:
InChI=1S/C14H10N2O3S/c17-12(18)8-20-14-16-15-13(19-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,17,18)
InChI Key:
BZUCBECNLJAGCX-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nnc(o1)c1ccc2c(c1)cccc2
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties