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4-(2H-[1,2,4]TRIAZOL-3-YL)-BENZOICACID

4-(2H-[1,2,4]TRIAZOL-3-YL)-BENZOICACID structure

CAS No:
876715-40-1
Formula:
C9H7N3O2
Chemical Name:
4-(2H-[1,2,4]TRIAZOL-3-YL)-BENZOICACID
Synonyms:
ASINEX-REAG BAS 10143552;CHEMBRDG-BB 4002462;4-(2H-[1,2,4]TRIAZOL-3-YL)-BENZOIC ACID;4-(1H-1,2,4-triazol-5-yl)benzoic acid(SALTDATA: 1.48 H2O);4-(1H-1,2,4-TRIAZOL-5-YL)BENZOIC ACID;4-(1H-1,2,4-triazol-3-yl)benzoic acid;Benzoic acid, 4-(1H-1,2,4-triazol-5-yl)-

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4-(2H-[1,2,4]TRIAZOL-3-YL)-BENZOICACID Basic Attributes

Molecular Weight：

189.17

Exact Mass：

189.053826475

DSSTox ID：

DTXSID80424366

Safety Information

Hazard category：

IRRITANT

hazard class code：

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:189.17
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:189.053826475
Monoisotopic Mass:189.053826475
Topological Polar Surface Area:78.9
Heavy Atom Count:14
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2H-[1,2,4]TRIAZOL-3-YL)-BENZOICACID

Basic Attributes
Safety Information
Computed Properties

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