Ethyl 3-(1-Tetrazolyl)benzoate - CAS 168618-33-5

Catalog:	BB012481
Product Name:	Ethyl 3-(1-Tetrazolyl)benzoate
CAS:	168618-33-5
Synonyms:	3-(1-tetrazolyl)benzoic acid ethyl ester; ethyl 3-(tetrazol-1-yl)benzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-(tetrazol-1-yl)benzoate
Description:	Ethyl 3-(1-Tetrazolyl)benzoate (CAS# 168618-33-5) is a useful research chemical compound.
Molecular Weight:	218.21
Molecular Formula:	C10H10N4O2
Canonical SMILES:	CCOC(=O)C1=CC(=CC=C1)N2C=NN=N2
InChI:	InChI=1S/C10H10N4O2/c1-2-16-10(15)8-4-3-5-9(6-8)14-7-11-12-13-14/h3-7H,2H2,1H3
InChI Key:	SKMABBOBKQYXHZ-UHFFFAOYSA-N
MDL:	MFCD11108893
LogP:	0.83900

Publication Number	Title	Priority Date
AU-723966-B2	Novel heterocyclic substituted pyrrolidine amide derivatives	19961219
CA-2275527-C	Novel heterocyclic substituted pyrrolidine amide derivatives	19961219
EP-0946548-A1	Novel heterocyclic substituted pyrrolidine amide derivatives	19961219
EP-0946548-B1	Novel heterocyclic substituted pyrrolidine amide derivatives	19961219
HU-0000315-A2	Heterocyclic-substituted pyrrolidine amide derivatives, methods for their preparation, pharmaceutical compositions containing these compounds and their use	19961219

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.08037557
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.08037557
Rotatable Bond Count:	4
Topological Polar Surface Area:	69.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3