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3-(2H-TETRAZOL-5-YL)-PHENYL-BORONICACID

3-(2H-TETRAZOL-5-YL)-PHENYL-BORONICACID structure

CAS No:
775351-30-9
Formula:
C7H7BN4O2
Chemical Name:
3-(2H-TETRAZOL-5-YL)-PHENYL-BORONICACID
Synonyms:
3-(2H-TETRAZOL-5-YL)-PHENYL-BORONIC ACID;3-(1H-Tetrazol-5-yl)phenylboronic Acid;Boronic acid,B-[3-(2H-tetrazol-5-yl)phenyl]-

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3-(2H-TETRAZOL-5-YL)-PHENYL-BORONICACID Basic Attributes

Molecular Weight：

189.97

Exact Mass：

190.0662056

DSSTox ID：

DTXSID90674153

Characteristics

Density：

1.51±0.1 g/cm3

Boiling Point：

517.4±60.0 °C(Predicted)

PKA：

4.31±0.10

Safety Information

hazard class code：

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:189.97
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:190.0662056
Monoisotopic Mass:190.0662056
Topological Polar Surface Area:94.9
Heavy Atom Count:14
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2H-TETRAZOL-5-YL)-PHENYL-BORONICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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