2-Nitrophenoxyacetic acid

C₈H₇NO₅CAS 1878-87-1197.15 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Nitro

Properties

Molecular formula: C₈H₇NO₅
Molar mass: 197.15 g/mol
Exact mass: 197.0324 Da
Melting point: 205 °C
logP: 1.06Crippen estimate
Polar surface area: 89.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1878-87-1

SMILES

O=C(O)COc1ccccc1[N+](=O)[O-]

InChIKey

TYHHDWAHJRRYCU-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Acetic acid, 2-(2-nitrophenoxy)-
Acetic acid, (o-nitrophenoxy)-
Acetic acid, (2-nitrophenoxy)-
2-(2-Nitrophenoxy)acetic acid
o-Nitrophenoxyacetic acid
(2-Nitrophenoxy)ethanoic acid
NSC 37409
2-(2-Nitrophenyloxy)acetic acid
(2-Nitrophenoxy)acetic acid

Work with 2-Nitrophenoxyacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Phenylenedioxydiacetic acid5411-14-363 % similar 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-962 % similar (2-Nitrophenyl)acetic acid3740-52-159 % similar 1-Ethoxy-2-nitrobenzene610-67-357 % similar O-Bromophenoxyacetic acid1879-56-755 % similar (2-Methylphenoxy)acetic acid1878-49-554 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-954 % similar o-Chlorophenoxyacetic acid614-61-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Hydroxy-3-nitrophenylacetic acid10463-20-4 6-Nitro-1,3-benzodioxole-5-methanol15341-08-9 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde17028-61-4 Methyl 5-nitrosalicylate17302-46-4 (4-Nitrophenoxy)acetic acid1798-11-4 5-Methoxy-2-nitrobenzoic acid1882-69-5 Methyl 3-nitrosalicylate22621-41-6 2-Methoxy-4-nitrobenzoic acid2597-56-0

Elsewhere

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