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1025914-50-4 | 1,2,4-Triazine, 6-chloro-3-phenyl-
CAS No: 1025914-50-4 Catalog No: AG0007UX MDL No:
Product Description
Catalog Number:
AG0007UX
Chemical Name:
1,2,4-Triazine, 6-chloro-3-phenyl-
CAS Number:
1025914-50-4
Molecular Formula:
C9H6ClN3
Molecular Weight:
191.6170
IUPAC Name:
6-chloro-3-phenyl-1,2,4-triazine
InChI:
InChI=1S/C9H6ClN3/c10-8-6-11-9(13-12-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
CWLIPEQSMFKRTC-UHFFFAOYSA-N
SMILES:
Clc1cnc(nn1)c1ccccc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.618g/mol
Monoisotopic Mass:
191.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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