5-(4-Methoxy-benzyl)-2H-tetrazole - CAS 132372-75-9

Catalog:	BB050523
Product Name:	5-(4-Methoxy-benzyl)-2H-tetrazole
CAS:	132372-75-9
Synonyms:	5-((4-methoxyphenyl)methyl)-1H-tetrazole; 5-(4-methoxybenzyl)-2H-tetrazole

Technical Data

Computed Properties

IUPAC Name:	5-[(4-methoxyphenyl)methyl]-2H-tetrazole
Description:	5-(4-Methoxy-benzyl)-2H-tetrazole (CAS# 132372-75-9 ) is a useful research chemical.
Molecular Weight:	190.2
Molecular Formula:	C9H10N4O
Canonical SMILES:	COC1=CC=C(C=C1)CC2=NNN=N2
InChI:	InChI=1S/C9H10N4O/c1-14-8-4-2-7(3-5-8)6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChI Key:	IWWXWEYVLHRYML-UHFFFAOYSA-N
Boiling Point:	395.6±44.0 °C at 760 mmHg
Purity:	95 %
Density:	1.3±0.1 g/cm³

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Related Functional Groups

Oxygen Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene

Triazole/Tetrazole

[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823829-53-3]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.08546096
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.08546096
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4