2-Amino-5-bromobenzophenone - CAS 39859-36-4
Catalog: |
BB024164 |
Product Name: |
2-Amino-5-bromobenzophenone |
CAS: |
39859-36-4 |
Synonyms: |
(2-amino-5-bromophenyl)-phenylmethanone; (2-amino-5-bromophenyl)-phenylmethanone |
IUPAC Name: | (2-amino-5-bromophenyl)-phenylmethanone |
Description: | 2-Amino-5-bromobenzophenone (CAS# 39859-36-4) is a benzophenone (B204980) derivative that is widely used in the synthesis of pharmaceutical compounds. |
Molecular Weight: | 276.13 |
Molecular Formula: | C13H10BrNO |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)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 |
InChI Key: | LXJVUGANBDAASB-UHFFFAOYSA-N |
Boiling Point: | 424.6 ℃ at 760 mmHg |
Density: | 1.484 g/cm3 |
LogP: | 3.84350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21851087 | 20111013 | Dihydroquinazolines as a novel class of Trypanosoma brucei trypanothione reductase inhibitors: discovery, synthesis, and characterization of their binding mode by protein crystallography | Journal of medicinal chemistry |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.99458 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.99458 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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