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Home > Encyclopedia > Benzoic acid, 3-(5-methyl-1H-tetrazol-1-yl)- (9CI)

Benzoic acid, 3-(5-methyl-1H-tetrazol-1-yl)- (9CI)

Benzoic acid, 3-(5-methyl-1H-tetrazol-1-yl)- (9CI) structure

Benzoic acid, 3-(5-methyl-1H-tetrazol-1-yl)- (9CI) 

structure
  • CAS No:

    799262-37-6

  • Formula:

    C9H8N4O2

  • Chemical Name:

    Benzoic acid, 3-(5-methyl-1H-tetrazol-1-yl)- (9CI)

  • Synonyms:

    Benzoic acid, 3-(5-methyl-1H-tetrazol-1-yl)- (9CI);Albb-005632;3-(5-methyl-1H-tetrazol-1-yl)benzoic acid(SALTDATA: FREE);3-(5-methyl-1,2,3,4-tetrazol-1-yl)benzoic acid;3-(5-methyl-1-tetrazolyl)benzoic acid

Benzoic acid, 3-(5-methyl-1H-tetrazol-1-yl)- (9CI) Basic Attributes

204.18542

204.06500

DTXSID70390061

2933990090

Characteristics

80.9

0.66890

1.46g/cm3

463.7ºC at 760 mmHg

234.2ºC

1.696

Safety Information

IRRITANT

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:204.19
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:204.06472551
Monoisotopic Mass:204.06472551
Topological Polar Surface Area:80.9
Heavy Atom Count:15
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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