2-Amino-4'-bromobenzophenone

C₁₃H₁₀BrNOCAS 1140-17-6276.13 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₁₃H₁₀BrNO
Molar mass: 276.13 g/mol
Exact mass: 274.9946 Da
logP: 3.26Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reaction97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

1140-17-6

SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N

InChIKey

WIISOMGJWLLMDG-UHFFFAOYSA-N

InChI

InChI=1S/C13H10BrNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2

Weigh it out

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

Work with 2-Amino-4'-bromobenzophenone

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-Aminobenzophenone2835-77-071 % similar 2-Amino-4′-chlorobenzophenone2894-51-166 % similar 2-Amino-4'-fluorobenzophenone3800-06-466 % similar 4-Bromobenzophenone90-90-459 % similar 4,4′-Dibromobenzophenone3988-03-257 % similar 4-Benzoyl-4'-bromobiphenyl63242-14-854 % similar (2-Amino-5-bromophenyl)(2-fluorophenyl)methanone1479-58-954 % similar 2-(2-Aminobenzoyl)benzoic acid1147-43-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-bromobenzophenone39859-36-4 6-Bromo-2-methoxy-1-naphthaleneacetonitrile92643-17-9

Elsewhere

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