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113714-07-1

113714-07-1 | 1H-1,2,3-Triazole, 4-[(2-nitrophenoxy)methyl]-1-phenyl-

CAS No: 113714-07-1 Catalog No: AG0009FR MDL No:

Product Description

Catalog Number:
AG0009FR
Chemical Name:
1H-1,2,3-Triazole, 4-[(2-nitrophenoxy)methyl]-1-phenyl-
CAS Number:
113714-07-1
Molecular Formula:
C15H12N4O3
Molecular Weight:
296.2808
IUPAC Name:
4-[(2-nitrophenoxy)methyl]-1-phenyltriazole
InChI:
InChI=1S/C15H12N4O3/c20-19(21)14-8-4-5-9-15(14)22-11-12-10-18(17-16-12)13-6-2-1-3-7-13/h1-10H,11H2
InChI Key:
XMXZBIQYUXGBHP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1OCc1nnn(c1)c1ccccc1

Properties

Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.091g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.286g/mol
Monoisotopic Mass:
296.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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