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13057-78-8 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-chloro-
CAS No: 13057-78-8 Catalog No: AG000UNC MDL No:
Product Description
Catalog Number:
AG000UNC
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-chloro-
CAS Number:
13057-78-8
Molecular Formula:
C3H2ClN3O3
Molecular Weight:
163.5193
IUPAC Name:
1-chloro-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C3H2ClN3O3/c4-7-2(9)5-1(8)6-3(7)10/h(H2,5,6,8,9,10)
InChI Key:
ISAOUZVKYLHALD-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(=O)n1Cl
UN Number:
2468
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.978g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.517g/mol
Monoisotopic Mass:
162.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Prevalence of ocular, respiratory and cutaneous symptoms in indoor swimming pool workers and exposure to disinfection by-products (DBPs). | International journal of environmental research and public health 20100401 |
| N-Chlorotaurine and ammonium chloride: an antiseptic preparation with strong bactericidal activity. | International journal of pharmaceutics 20070420 |
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