Home Halogens 2-[3-(4-chloro-2-methylphenoxymethyl)-1H-1,2,4-triazol-5-yl]pyridine

2-[3-(4-chloro-2-methylphenoxymethyl)-1H-1,2,4-triazol-5-yl]pyridine

CAS No.:
620934-98-7
Catalog Number:
AG01A6H9
Molecular Formula:
C15H13ClN4O
Molecular Weight:
300.7429
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Product Description
Catalog Number:
AG01A6H9
Chemical Name:
2-[3-(4-chloro-2-methylphenoxymethyl)-1H-1,2,4-triazol-5-yl]pyridine
CAS Number:
620934-98-7
Molecular Formula:
C15H13ClN4O
Molecular Weight:
300.7429
MDL Number:
MFCD06297832
IUPAC Name:
2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
InChI:
InChI=1S/C15H13ClN4O/c1-10-8-11(16)5-6-13(10)21-9-14-18-15(20-19-14)12-4-2-3-7-17-12/h2-8H,9H2,1H3,(H,18,19,20)
InChI Key:
DOUOQWGSGYNPQN-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)OCc1n[nH]c(n1)c1ccccn1
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.078g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.746g/mol
Monoisotopic Mass:
300.078g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties