4-Nitrophenyl anthranilate

C₁₃H₁₀N₂O₄CAS 19176-60-4258.23 g/mol

Open in Covalent MOL file

Ester Nitro Primary amine

Properties

Molecular formula: C₁₃H₁₀N₂O₄
Molar mass: 258.23 g/mol
Exact mass: 258.0641 Da
logP: 2.40Crippen estimate
Polar surface area: 95.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

19176-60-4

SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N

InChIKey

IFHJJPYCVMFLMB-UHFFFAOYSA-N

InChI

InChI=1S/C13H10N2O4/c14-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)15(17)18/h1-8H,14H2

Weigh it out

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

Work with 4-Nitrophenyl anthranilate

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

Bis(4-nitrophenyl) carbonate5070-13-354 % similar Methyl 2-amino-5-nitrobenzoate3816-62-452 % similar 4-Nitrophenyl chloroformate7693-46-150 % similar 4-Nitrophenyl acetate830-03-550 % similar 2-Amino-5-nitro-2′-chlorobenzophenone2011-66-749 % similar 2-Amino-2'-fluoro-5-nitrobenzophenone344-80-949 % similar 2-Amino-5-nitrobenzophenone1775-95-749 % similar Benzyl 4-nitrophenyl carbonate13795-24-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thalidomide50-35-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook