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2001-29-8

2001-29-8 | Ethanone, 1-(4-bromophenyl)-2-phenyl-

CAS No: 2001-29-8 Catalog No: AG002CJJ MDL No:MFCD00016331

Product Description

Catalog Number:
AG002CJJ
Chemical Name:
Ethanone, 1-(4-bromophenyl)-2-phenyl-
CAS Number:
2001-29-8
Molecular Formula:
C14H11BrO
Molecular Weight:
275.1405
MDL Number:
MFCD00016331
IUPAC Name:
1-(4-bromophenyl)-2-phenylethanone
InChI:
InChI=1S/C14H11BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
MOSIKPSTRPODHQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)Cc1ccccc1
EC Number:
923-132-9

Properties

Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.999g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.145g/mol
Monoisotopic Mass:
273.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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