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130019-22-6 | 2H-Tetrazole-2-propanenitrile, 5-[4-(phenylmethoxy)phenyl]-
CAS No: 130019-22-6 Catalog No: AG000TX2 MDL No:
Product Description
Catalog Number:
AG000TX2
Chemical Name:
2H-Tetrazole-2-propanenitrile, 5-[4-(phenylmethoxy)phenyl]-
CAS Number:
130019-22-6
Molecular Formula:
C17H15N5O
Molecular Weight:
305.3339
IUPAC Name:
3-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]propanenitrile
InChI:
InChI=1S/C17H15N5O/c18-11-4-12-22-20-17(19-21-22)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
InChI Key:
FWRQMAVAOSMPTQ-UHFFFAOYSA-N
SMILES:
N#CCCn1nnc(n1)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.128g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.341g/mol
Monoisotopic Mass:
305.128g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Rational approaches towards reversible inhibition of type B monoamine oxidase. Design and evaluation of a novel 5H-Indeno[1,2-c]pyridazin-5-one derivative. | Bioorganic & medicinal chemistry letters 20030106 |
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