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831218-56-5 | 1,2,4-Triazine, 5-[chloro(phenylsulfonyl)methyl]-2,5-dihydro-
CAS No: 831218-56-5 Catalog No: AG0051JH MDL No:
Product Description
Catalog Number:
AG0051JH
Chemical Name:
1,2,4-Triazine, 5-[chloro(phenylsulfonyl)methyl]-2,5-dihydro-
CAS Number:
831218-56-5
Molecular Formula:
C10H10ClN3O2S
Molecular Weight:
271.7233
IUPAC Name:
5-[benzenesulfonyl(chloro)methyl]-2,5-dihydro-1,2,4-triazine
InChI:
InChI=1S/C10H10ClN3O2S/c11-10(9-6-13-14-7-12-9)17(15,16)8-4-2-1-3-5-8/h1-7,9-10H,(H,12,14)
InChI Key:
IPHFLXDXPONNSK-UHFFFAOYSA-N
SMILES:
ClC(S(=O)(=O)c1ccccc1)C1N=CNN=C1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.719g/mol
Monoisotopic Mass:
271.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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