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Home > Nitro Compounds > 84670-04-2
84670-04-2 | 1-cyclopentyloxy-6-nitro-benzotriazole
CAS No: 84670-04-2 Catalog No: AG004Q0J MDL No:
Product Description
Catalog Number:
AG004Q0J
Chemical Name:
1-cyclopentyloxy-6-nitro-benzotriazole
CAS Number:
84670-04-2
Molecular Formula:
C11H12N4O3
Molecular Weight:
248.2380
IUPAC Name:
1-cyclopentyloxy-6-nitrobenzotriazole
InChI:
InChI=1S/C11H12N4O3/c16-15(17)8-5-6-10-11(7-8)14(13-12-10)18-9-3-1-2-4-9/h5-7,9H,1-4H2
InChI Key:
TVBXWIZOGHJXTF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(nn2)OC1CCCC1
NSC Number:
315150
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.242g/mol
Monoisotopic Mass:
248.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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