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Home Other Building Blocks 2-Isobutyramidobenzoic acid

2-Isobutyramidobenzoic acid

CAS No.:
17840-96-9
Catalog Number:
AG002601
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG002601
Chemical Name:
2-Isobutyramidobenzoic acid
CAS Number:
17840-96-9
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00448022
IUPAC Name:
2-(2-methylpropanoylamino)benzoic acid
InChI:
InChI=1S/C11H13NO3/c1-7(2)10(13)12-9-6-4-3-5-8(9)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)
InChI Key:
MDNWGZNJNJKROK-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1ccccc1C(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties