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Home Halogens 2-chloro-4-[(dimethylcarbamoyl)amino]benzoic acid

2-chloro-4-[(dimethylcarbamoyl)amino]benzoic acid

CAS No.:
59587-01-8
Catalog Number:
AG01A1CQ
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
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Product Description
Catalog Number:
AG01A1CQ
Chemical Name:
2-chloro-4-[(dimethylcarbamoyl)amino]benzoic acid
CAS Number:
59587-01-8
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
MDL Number:
MFCD14659074
IUPAC Name:
2-chloro-4-(dimethylcarbamoylamino)benzoic acid
InChI:
InChI=1S/C10H11ClN2O3/c1-13(2)10(16)12-6-3-4-7(9(14)15)8(11)5-6/h3-5H,1-2H3,(H,12,16)(H,14,15)
InChI Key:
RXKVDCNQFKONLD-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Nc1ccc(c(c1)Cl)C(=O)O
UNII:
U6JCT6POEL
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
242.659g/mol
Monoisotopic Mass:
242.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties