Home Carboxys methyl 2,1,3-benzoxadiazole-4-carboxylate

methyl 2,1,3-benzoxadiazole-4-carboxylate

CAS No.:
408502-47-6
Catalog Number:
AG01BV08
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
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Product Description
Catalog Number:
AG01BV08
Chemical Name:
methyl 2,1,3-benzoxadiazole-4-carboxylate
CAS Number:
408502-47-6
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD29761297
IUPAC Name:
methyl 2,1,3-benzoxadiazole-4-carboxylate
InChI:
InChI=1S/C8H6N2O3/c1-12-8(11)5-3-2-4-6-7(5)10-13-9-6/h2-4H,1H3
InChI Key:
YQSWAPPOVLNWGR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1non2
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties