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1053656-00-0 | 2-Chloro-4-pyridin-4-yl-1,3,5-triazine
CAS No: 1053656-00-0 Catalog No: AG01FCIH MDL No:
Product Description
Catalog Number:
AG01FCIH
Chemical Name:
2-Chloro-4-pyridin-4-yl-1,3,5-triazine
CAS Number:
1053656-00-0
Molecular Formula:
C8H5ClN4
Molecular Weight:
192.6051
IUPAC Name:
2-chloro-4-pyridin-4-yl-1,3,5-triazine
InChI:
InChI=1S/C8H5ClN4/c9-8-12-5-11-7(13-8)6-1-3-10-4-2-6/h1-5H
InChI Key:
KVSOWFUYVWTDQL-UHFFFAOYSA-N
SMILES:
Clc1ncnc(n1)c1ccncc1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.606g/mol
Monoisotopic Mass:
192.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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