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142087-16-9,MFCD00962693
Catalog No.:AA01ETQI
142087-16-9 | 1-[(4-Methylphenyl)methyl]-1H-1,2,3-benzotriazole
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250mg
98%
1 week  
$259.00
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Technical Information
Catalog Number:
AA01ETQI
Chemical Name:
1-[(4-Methylphenyl)methyl]-1H-1,2,3-benzotriazole
CAS Number:
142087-16-9
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
MDL Number:
MFCD00962693
IUPAC Name:
1-[(4-methylphenyl)methyl]benzotriazole
InChI:
InChI=1S/C14H13N3/c1-11-6-8-12(9-7-11)10-17-14-5-3-2-4-13(14)15-16-17/h2-9H,10H2,1H3
InChI Key:
FORQSHUGQDJPRJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cn1nnc2c1cccc2
Properties
Computed Properties
 
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
1-[(4-Methylphenyl)methyl]-1H-1,2,3-benzotriazole 
142087-16-9 
BAS 08753478 
ST50028351 
Z56912050 
CID733620 
ZINC00148716 
AC1LEBWO 
ZINC148716 
[(4-methylphenyl)methyl]benzotriazole 
1-(4-Methylbenzyl)-1H-benzotriazole 
AKOS000538420 
1-(4-Methyl-benzyl)-1H-benzotriazole 
MCULE-3917619494 
1-[(4-methylphenyl)methyl]benzotriazole 
Literature
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