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Home > Nitro Compounds > 126865-93-8
126865-93-8 | 1-(4-Nitrophenoxymethyl)-1H-1,2,3-benzotriazole
CAS No: 126865-93-8 Catalog No: AG01ERLZ MDL No:
Product Description
Catalog Number:
AG01ERLZ
Chemical Name:
1-(4-Nitrophenoxymethyl)-1H-1,2,3-benzotriazole
CAS Number:
126865-93-8
Molecular Formula:
C13H10N4O3
Molecular Weight:
270.2435
IUPAC Name:
1-[(4-nitrophenoxy)methyl]benzotriazole
InChI:
InChI=1S/C13H10N4O3/c18-17(19)10-5-7-11(8-6-10)20-9-16-13-4-2-1-3-12(13)14-15-16/h1-8H,9H2
InChI Key:
MHLVJGAQNCWOCO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCn1nnc2c1cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.248g/mol
Monoisotopic Mass:
270.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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