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16091-26-2

16091-26-2 | Benzamide, N-(3-aminophenyl)-

CAS No: 16091-26-2 Catalog No: AG001VGV MDL No:MFCD00071750

Product Description

Catalog Number:
AG001VGV
Chemical Name:
Benzamide, N-(3-aminophenyl)-
CAS Number:
16091-26-2
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
MDL Number:
MFCD00071750
IUPAC Name:
N-(3-aminophenyl)benzamide
InChI:
InChI=1S/C13H12N2O/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-9H,14H2,(H,15,16)
InChI Key:
IRFCTHNJIWUUJZ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)NC(=O)c1ccccc1
EC Number:
240-254-1

Properties

Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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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