Methyl 4-(1-Tetrazolyl)benzoate - CAS 351995-88-5

Catalog:	BB022524
Product Name:	Methyl 4-(1-Tetrazolyl)benzoate
CAS:	351995-88-5
Synonyms:	4-(1-tetrazolyl)benzoic acid methyl ester; methyl 4-(tetrazol-1-yl)benzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-(tetrazol-1-yl)benzoate
Description:	Methyl 4-(1-Tetrazolyl)benzoate (CAS# 351995-88-5) is a useful research chemical.
Molecular Weight:	204.19
Molecular Formula:	C9H8N4O2
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)N2C=NN=N2
InChI:	InChI=1S/C9H8N4O2/c1-15-9(14)7-2-4-8(5-3-7)13-6-10-11-12-13/h2-6H,1H3
InChI Key:	WVKMMKCGEPFVTQ-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
AU-2007336011-A1	Acylaminopyrazoles as FGFR inhibitors	20061221
AU-2007336011-B2	Acylaminopyrazoles as FGFR inhibitors	20061221
CA-2672521-A1	Pyrazole derivatives as protein kinase inhibitors	20061221
CA-2672521-C	Pyrazole derivatives as protein kinase inhibitors	20061221
EP-2125748-B1	Acylaminopyrazoles as fgfr inhibitors	20061221

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Related Functional Groups

Carbonyl Compounds

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[1006443-01-1]
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[91552-11-3]
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[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

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Complexity:	228
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:	0.9