Home Halogens 1,2,3-Benzotriazin-4(3H)-one,7-chloro-

1,2,3-Benzotriazin-4(3H)-one,7-chloro-

CAS No.:
36772-63-1
Catalog Number:
AG0078BS
Molecular Formula:
C7H4ClN3O
Molecular Weight:
181.5792
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Product Description
Catalog Number:
AG0078BS
Chemical Name:
1,2,3-Benzotriazin-4(3H)-one,7-chloro-
CAS Number:
36772-63-1
Molecular Formula:
C7H4ClN3O
Molecular Weight:
181.5792
MDL Number:
MFCD25962790
IUPAC Name:
7-chloro-3H-1,2,3-benzotriazin-4-one
InChI:
InChI=1S/C7H4ClN3O/c8-4-1-2-5-6(3-4)9-11-10-7(5)12/h1-3H,(H,9,10,12)
InChI Key:
HGUMEYYQEBMJOW-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[nH]nnc2=O
NSC Number:
17807
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