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133145-29-6 | 1H-Benzotriazole, 6-(pentyloxy)-
CAS No: 133145-29-6 Catalog No: AG0014C5 MDL No:
Product Description
Catalog Number:
AG0014C5
Chemical Name:
1H-Benzotriazole, 6-(pentyloxy)-
CAS Number:
133145-29-6
Molecular Formula:
C11H15N3O
Molecular Weight:
205.2563
IUPAC Name:
5-pentoxy-2H-benzotriazole
InChI:
InChI=1S/C11H15N3O/c1-2-3-4-7-15-9-5-6-10-11(8-9)13-14-12-10/h5-6,8H,2-4,7H2,1H3,(H,12,13,14)
InChI Key:
QOLSSJHPZVQWFE-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc2c(c1)[nH]nn2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.261g/mol
Monoisotopic Mass:
205.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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