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

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

CAS No.:
1249754-47-9
Catalog Number:
AG01EKB3
Molecular Formula:
C10H10ClNO4
Molecular Weight:
243.6437
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Product Description
Catalog Number:
AG01EKB3
Chemical Name:
2-chloro-4-[(ethoxycarbonyl)amino]benzoic acid
CAS Number:
1249754-47-9
Molecular Formula:
C10H10ClNO4
Molecular Weight:
243.6437
MDL Number:
MFCD14659022
IUPAC Name:
2-chloro-4-(ethoxycarbonylamino)benzoic acid
InChI:
InChI=1S/C10H10ClNO4/c1-2-16-10(15)12-6-3-4-7(9(13)14)8(11)5-6/h3-5H,2H2,1H3,(H,12,15)(H,13,14)
InChI Key:
HMTNYRXEKVKUJW-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.643g/mol
Monoisotopic Mass:
243.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties