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3-(2H-TETRAZOL-5-YL)-BENZOICACID

3-(2H-TETRAZOL-5-YL)-BENZOICACID structure

CAS No:
73096-39-6
Formula:
C8H6N4O2
Chemical Name:
3-(2H-TETRAZOL-5-YL)-BENZOICACID
Synonyms:
3-(2H-TETRAZOL-5-YL)-BENZOIC ACID;3-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid

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3-(2H-TETRAZOL-5-YL)-BENZOICACID Basic Attributes

Molecular Weight：

190.16

Exact Mass：

190.04907545 g/mol

NSC Number：

338094

DSSTox ID：

DTXSID90318929

Characteristics

PSA：

91.8 Å²

Melting Point：

284-286°C

Safety Information

Hazard category：

IRRITANT

hazard class code：

Marks：

GHS Classification：

|Warning|H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]|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|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:190.16
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:190.04907545
Monoisotopic Mass:190.04907545
Topological Polar Surface Area:91.8
Heavy Atom Count:14
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2H-TETRAZOL-5-YL)-BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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