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

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

CAS No.:
37466-85-6
Catalog Number:
AG01BUZW
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
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Product Description
Catalog Number:
AG01BUZW
Chemical Name:
ethyl 2,1,3-benzoxadiazole-4-carboxylate
CAS Number:
37466-85-6
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD29761300
IUPAC Name:
ethyl 2,1,3-benzoxadiazole-4-carboxylate
InChI:
InChI=1S/C9H8N2O3/c1-2-13-9(12)6-4-3-5-7-8(6)11-14-10-7/h3-5H,2H2,1H3
InChI Key:
JZLGXHQPSUKWEJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1non2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties