Home Halogens 6-chloro-3,4-dihydro-1,2,3-benzotriazin-4-one

6-chloro-3,4-dihydro-1,2,3-benzotriazin-4-one

CAS No.:
37429-97-3
Catalog Number:
AG019UI2
Molecular Formula:
C7H4ClN3O
Molecular Weight:
181.5792
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Product Description
Catalog Number:
AG019UI2
Chemical Name:
6-chloro-3,4-dihydro-1,2,3-benzotriazin-4-one
CAS Number:
37429-97-3
Molecular Formula:
C7H4ClN3O
Molecular Weight:
181.5792
MDL Number:
MFCD03069259
IUPAC Name:
6-chloro-3H-1,2,3-benzotriazin-4-one
InChI:
InChI=1S/C7H4ClN3O/c8-4-1-2-6-5(3-4)7(12)10-11-9-6/h1-3H,(H,9,10,12)
InChI Key:
ICRNYWUEKICFMZ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)[nH]nn2
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.579g/mol
Monoisotopic Mass:
181.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties