Home Halogens 2-chloro-5-(2-methylpropanamido)benzoic acid

2-chloro-5-(2-methylpropanamido)benzoic acid

CAS No.:
1184281-48-8
Catalog Number:
AG01AKZ2
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
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Product Description
Catalog Number:
AG01AKZ2
Chemical Name:
2-chloro-5-(2-methylpropanamido)benzoic acid
CAS Number:
1184281-48-8
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
IUPAC Name:
2-chloro-5-(2-methylpropanoylamino)benzoic acid
InChI:
InChI=1S/C11H12ClNO3/c1-6(2)10(14)13-7-3-4-9(12)8(5-7)11(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
NXVWHIUQIANBRQ-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1ccc(c(c1)C(=O)O)Cl
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties