2-[4-(tetrazol-1-yl)phenyl]acetic acid - CAS 462068-57-1

Catalog:	BB047048
Product Name:	2-[4-(tetrazol-1-yl)phenyl]acetic acid
CAS:	462068-57-1
Synonyms:	benzeneacetic acid, 4-(1h-tetrazol-1-yl)-

Technical Data

Computed Properties

IUPAC Name:	[4-(1H-tetrazol-1-yl)phenyl]acetic acid
Description:	2-[4-(tetrazol-1-yl)phenyl]acetic acid (CAS# 462068-57-1 ) is a useful research chemical.
Molecular Weight:	204.19
Molecular Formula:	C9H8N4O2
Canonical SMILES:	C1=CC(=CC=C1CC(=O)O)N2C=NN=N2
InChI:	InChI=1S/C9H8N4O2/c14-9(15)5-7-1-3-8(4-2-7)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15)
InChI Key:	OGYBWZMCGUWWHS-UHFFFAOYSA-N
Boiling Point:	433.2 °C at 760 mmHg
Purity:	95 %
Density:	1.45 g/cm³

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate

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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.06472551
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6