4-(1H-Tetrazol-5-yl)benzaldehyde - CAS 74815-22-8

Catalog:	BB035168
Product Name:	4-(1H-Tetrazol-5-yl)benzaldehyde
CAS:	74815-22-8
Synonyms:	4-(2H-tetrazol-5-yl)benzaldehyde; 4-(2H-tetrazol-5-yl)benzaldehyde

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Computed Properties

IUPAC Name:	4-(2H-tetrazol-5-yl)benzaldehyde
Description:	4-(1H-Tetrazol-5-yl)benzaldehyde (CAS# 74815-22-8) is a useful research chemical compound.
Molecular Weight:	174.16
Molecular Formula:	C8H6N4O
Canonical SMILES:	C1=CC(=CC=C1C=O)C2=NNN=N2
InChI:	InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
InChI Key:	SRGPTCYCHZMFOR-UHFFFAOYSA-N
Boiling Point:	409 ℃ at 760 mmHg
Density:	1.4 g/cm³
Appearance:	Powder
MDL:	MFCD01311033
LogP:	0.67920

Publication Number	Title	Priority Date
WO-2021041539-A2	Compounds and methods of use	20190828
US-10584120-B1	Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease	20180831
US-2020071312-A1	Benzimidazole compounds and use thereof for treating alzheimer's disease or huntington's disease	20180831
CN-112601741-A	Improved compounds for MYC inhibition	20180709
US-2021269430-A1	Improved compounds for myc inhibition	20180709

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GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.05416083
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.05416083
Rotatable Bond Count:	2
Topological Polar Surface Area:	71.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6