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Home > Encyclopedia > Benzoic acid, 4-(1-methylethyl)-3-nitro- (9CI)

Benzoic acid, 4-(1-methylethyl)-3-nitro- (9CI)

Benzoic acid, 4-(1-methylethyl)-3-nitro- (9CI) structure

Benzoic acid, 4-(1-methylethyl)-3-nitro- (9CI) 

structure
  • CAS No:

    174482-81-6

  • Formula:

    C10H11NO4

  • Chemical Name:

    Benzoic acid, 4-(1-methylethyl)-3-nitro- (9CI)

  • Synonyms:

    4-Isopropyl-3-nitrobenzoic acid;174482-81-6;3-nitro-4-(propan-2-yl)benzoic acid;Benzoic acid, 4-(1-methylethyl)-3-nitro-;SCHEMBL7573511;3-nitro-4-propan-2-ylbenzoic acid;ZINC39087142;AKOS027400445;MCULE-4735645997;NE23242

Benzoic acid, 4-(1-methylethyl)-3-nitro- (9CI) Basic Attributes

209.19864

209.069

Characteristics

83.1

2.4

Safety Information

|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:209.20
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:209.06880783
Monoisotopic Mass:209.06880783
Topological Polar Surface Area:83.1
Heavy Atom Count:15
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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