1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-1,3,5-triazine

2.1.2 InChI

InChI=1S/C3H2ClN3/c4-3-6-1-5-2-7-3/h1-2H

2.1.3 InChI Key

HTSVYUUXJSMGQC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NC=NC(=N1)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6153-86-2

2. Chloro-s-triazine

3. 2-chloro-s-triazine

4. S-triazine, 2-chloro-

5. Monochloro-s-triazine

6. Schembl20782

7. Chebi:38074

8. Dtxsid80210524

9. Q27117368

2.3 Create Date

2005-10-07

3 Chemical and Physical Properties

Molecular Formula	C₃H₂ClN₃
Molecular Weight	115.52 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	114.9937248 g/mol
Monoisotopic Mass	114.9937248 g/mol
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	52.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 6153-86-2