2-Amino-5-bromobenzophenone

C13H10BrNOCAS 39859-36-4276.13 g/mol

Open in Covalent MOL file
OBrNH2
Aryl halideKetonePrimary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
39859-36-4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)N
InChIKey
LXJVUGANBDAASB-UHFFFAOYSA-N
InChI
InChI=1S/C13H10BrNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2

Weigh it out

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

Work with 2-Amino-5-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-Amino-5-bromophenyl)(2-fluorophenyl)methanone1479-58-967 % similar 5-Bromo-2-hydroxybenzophenone55082-33-263 % similar 2-Amino-5-chlorobenzophenone719-59-563 % similar 2-Aminobenzophenone2835-77-062 % similar 3-Bromobenzophenone1016-77-957 % similar 4-Bromobenzophenone90-90-456 % similar 2-Amino-5-nitrobenzophenone1775-95-756 % similar 2-Amino-5-bromobenzoic acid5794-88-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4'-bromobenzophenone1140-17-6 6-Bromo-2-methoxy-1-naphthaleneacetonitrile92643-17-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook