Home Halogens 2-chloro-5-[(methylcarbamoyl)amino]benzoic acid

2-chloro-5-[(methylcarbamoyl)amino]benzoic acid

CAS No.:
719282-08-3
Catalog Number:
AG01DTAN
Molecular Formula:
C9H9ClN2O3
Molecular Weight:
228.6324
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Product Description
Catalog Number:
AG01DTAN
Chemical Name:
2-chloro-5-[(methylcarbamoyl)amino]benzoic acid
CAS Number:
719282-08-3
Molecular Formula:
C9H9ClN2O3
Molecular Weight:
228.6324
MDL Number:
MFCD03756647
IUPAC Name:
2-chloro-5-(methylcarbamoylamino)benzoic acid
InChI:
InChI=1S/C9H9ClN2O3/c1-11-9(15)12-5-2-3-7(10)6(4-5)8(13)14/h2-4H,1H3,(H,13,14)(H2,11,12,15)
InChI Key:
NUSRNYHSRDMMQL-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1ccc(c(c1)C(=O)O)Cl
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.632g/mol
Monoisotopic Mass:
228.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties