Methyl 2-(1-Tetrazolyl)benzoate - CAS 309279-56-9

Catalog:	BB020752
Product Name:	Methyl 2-(1-Tetrazolyl)benzoate
CAS:	309279-56-9
Synonyms:	2-(1-tetrazolyl)benzoic acid methyl ester; methyl 2-(tetrazol-1-yl)benzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(tetrazol-1-yl)benzoate
Description:	Methyl 2-(1-Tetrazolyl)benzoate (CAS# 309279-56-9 ) is a useful research chemical.
Molecular Weight:	204.19
Molecular Formula:	C9H8N4O2
Canonical SMILES:	COC(=O)C1=CC=CC=C1N2C=NN=N2
InChI:	InChI=1S/C9H8N4O2/c1-15-9(14)7-4-2-3-5-8(7)13-6-10-11-12-13/h2-6H,1H3
InChI Key:	FTDRORBGODITKZ-UHFFFAOYSA-N
LogP:	0.44890

Publication Number	Title	Priority Date
KR-101290385-B1	Tetrazol-substituted arylamide derivatives and their use as P243 and / or P2 / 2/3 purinergic receptor antagonists	20071217
KR-20100077219-A	Tetrazol-substituted arylamide derivatives and their use as P243 and / or P2 / 2/3 purinergic receptor antagonists	20071217
EP-2125748-A2	Acylaminopyrazoles as fgfr inhibitors	20061221
WO-2008075068-A2	Acylaminopyrazoles as fgfr inhibitors	20061221
AU-707914-B2	Novel substituted 4-(1H-benzimidazol-2-yl){1,4}diazepanes useful for the treatment of allergic diseases	19951220

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.06472551
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.06472551
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1