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10017-53-5,MFCD00191464
Catalog No.:AA00012U
10017-53-5 | Acetamide, 2-(3-methylphenoxy)-
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Technical Information
Catalog Number:
AA00012U
Chemical Name:
Acetamide, 2-(3-methylphenoxy)-
CAS Number:
10017-53-5
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00191464
IUPAC Name:
2-(3-methylphenoxy)acetamide
InChI:
InChI=1S/C9H11NO2/c1-7-3-2-4-8(5-7)12-6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChI Key:
GOVBTAZVUFGTFB-UHFFFAOYSA-N
SMILES:
NC(=O)COc1cccc(c1)C
Properties
Computed Properties
 
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
2-(3-methylphenoxy)acetamide 
10017-53-5 
KS-00003ULR 
DTXSID40352595 
HMS1787N07 
ZINC142313 
KS-000015SV 
MFCD00191464 
STK006010 
AKOS000299326 
MCULE-5811350103 
NE18174 
2-(m-Tolyloxy)acetamide 
ST039807 
ZB004932 
BB 0244335 
FT-0691225 
M1184 
I14-107452 
AR-1C7382 
CID730001 
ZINC00142313 
1003-07-2 
3'-Methylphenoxyacetamide 
2-m-Tolyloxy-acetamide 
3-Methylphenoxyacetamide 
AC1Q5JCF 
AC1LE47L 
ARONIS001048 
SCHEMBL5532773 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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