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15791-08-9 | 1,3,5-Triazin-2(1H)-one, 4,6-dichloro-
CAS No: 15791-08-9 Catalog No: AG001PTB MDL No:MFCD00047344
Product Description
Catalog Number:
AG001PTB
Chemical Name:
1,3,5-Triazin-2(1H)-one, 4,6-dichloro-
CAS Number:
15791-08-9
Molecular Formula:
C3HCl2N3O
Molecular Weight:
165.9655
MDL Number:
MFCD00047344
IUPAC Name:
4,6-dichloro-1H-1,3,5-triazin-2-one
InChI:
InChI=1S/C3HCl2N3O/c4-1-6-2(5)8-3(9)7-1/h(H,6,7,8,9)
InChI Key:
YKUDHBLDJYZZQS-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)[nH]c(=O)n1
EC Number:
239-890-2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.95g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.961g/mol
Monoisotopic Mass:
164.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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