Home Halogens 6-(chloromethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

6-(chloromethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

CAS No.:
24753-63-7
Catalog Number:
AG01CAE8
Molecular Formula:
C4H4ClN3O2
Molecular Weight:
161.5465
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Product Description
Catalog Number:
AG01CAE8
Chemical Name:
6-(chloromethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
CAS Number:
24753-63-7
Molecular Formula:
C4H4ClN3O2
Molecular Weight:
161.5465
MDL Number:
MFCD19232567
IUPAC Name:
6-(chloromethyl)-2H-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C4H4ClN3O2/c5-1-2-3(9)6-4(10)8-7-2/h1H2,(H2,6,8,9,10)
InChI Key:
TUUNAVYGKDPMLV-UHFFFAOYSA-N
SMILES:
ClCc1n[nH]c(=O)[nH]c1=O
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.999g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
161.545g/mol
Monoisotopic Mass:
160.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties