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332176-81-5 | Furan-2-carboxylic acid 3-tetrazol-1-yl-phenyl ester
CAS No: 332176-81-5 Catalog No: AG01F8LX MDL No:
Product Description
Catalog Number:
AG01F8LX
Chemical Name:
Furan-2-carboxylic acid 3-tetrazol-1-yl-phenyl ester
CAS Number:
332176-81-5
Molecular Formula:
C12H8N4O3
Molecular Weight:
256.2169
IUPAC Name:
[3-(tetrazol-1-yl)phenyl] furan-2-carboxylate
InChI:
InChI=1S/C12H8N4O3/c17-12(11-5-2-6-18-11)19-10-4-1-3-9(7-10)16-8-13-14-15-16/h1-8H
InChI Key:
UPEYSALMABSIQR-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)Oc1cccc(c1)n1cnnn1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.06g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.221g/mol
Monoisotopic Mass:
256.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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