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873-44-9 | 1,2,4-Triazine-3,5(2H,4H)-dione, 6-chloro-
CAS No: 873-44-9 Catalog No: AG004HGS MDL No:MFCD20727899
Product Description
Catalog Number:
AG004HGS
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 6-chloro-
CAS Number:
873-44-9
Molecular Formula:
C3H2ClN3O2
Molecular Weight:
147.5199
MDL Number:
MFCD20727899
IUPAC Name:
6-chloro-2H-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C3H2ClN3O2/c4-1-2(8)5-3(9)7-6-1/h(H2,5,7,8,9)
InChI Key:
PAUKVVDKNFETLM-UHFFFAOYSA-N
SMILES:
Clc1n[nH]c(=O)[nH]c1=O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.984g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.518g/mol
Monoisotopic Mass:
146.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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