4-Amino-2-fluoro-5-methoxybenzoic acid

C8H8FNO3CAS 1001346-91-3185.15 g/mol

Open in Covalent MOL file
OOOHFH2N
Aryl halideCarboxylic acidEtherPrimary amine

Properties

Molecular formula
C8H8FNO3
Molar mass
185.15 g/mol
Exact mass
185.0488 Da
logP
1.11Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 19 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1001346-91-3
SMILES
COC1=C(C=C(C(=C1)C(=O)O)F)N
InChIKey
AOFWIQANMFITAG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12)

Weigh it out

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Work with 4-Amino-2-fluoro-5-methoxybenzoic 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

2-Amino-4,5-dimethoxybenzoic acid5653-40-769 % similar 2-Amino-4,5-difluorobenzoic acid83506-93-866 % similar 5-Methoxy-2,3,4-trifluorobenzoic acid38233-47-557 % similar 2,4,5-Trimethoxybenzoic acid490-64-257 % similar 2-Fluoro-5-methoxybenzoic acid367-83-956 % similar 2-Fluoro-4-methoxybenzoic acid394-42-356 % similar 2-Amino-3,4,5-trimethoxybenzoic acid61948-85-455 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Fluoro-5-methoxy-2-methyl-4-nitrobenzene314298-13-0

Elsewhere

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