Home Halogens 7-chloro-6-methyl-4H-[1,2,3]triazolo[4,3-c][1,4]oxazin-4-one

7-chloro-6-methyl-4H-[1,2,3]triazolo[4,3-c][1,4]oxazin-4-one

CAS No.:
142330-94-7
Catalog Number:
AG01EINW
Molecular Formula:
C6H4ClN3O2
Molecular Weight:
185.5679
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Product Description
Catalog Number:
AG01EINW
Chemical Name:
7-chloro-6-methyl-4H-[1,2,3]triazolo[4,3-c][1,4]oxazin-4-one
CAS Number:
142330-94-7
Molecular Formula:
C6H4ClN3O2
Molecular Weight:
185.5679
MDL Number:
MFCD31665719
IUPAC Name:
7-chloro-6-methyltriazolo[5,1-c][1,4]oxazin-4-one
InChI:
InChI=1S/C6H4ClN3O2/c1-3-5(7)10-4(2-8-9-10)6(11)12-3/h2H,1H3
InChI Key:
RNRDGOKPGMEYDT-UHFFFAOYSA-N
SMILES:
Cc1oc(=O)c2n(c1Cl)nnc2
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.567g/mol
Monoisotopic Mass:
184.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties