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19959-41-2 | Benzoic acid, 2-[[[(4-chlorophenyl)amino]carbonyl]amino]-, methyl ester
CAS No: 19959-41-2 Catalog No: AG002C71 MDL No:
Product Description
Catalog Number:
AG002C71
Chemical Name:
Benzoic acid, 2-[[[(4-chlorophenyl)amino]carbonyl]amino]-, methyl ester
CAS Number:
19959-41-2
Molecular Formula:
C15H13ClN2O3
Molecular Weight:
304.7283
IUPAC Name:
methyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
InChI:
InChI=1S/C15H13ClN2O3/c1-21-14(19)12-4-2-3-5-13(12)18-15(20)17-11-8-6-10(16)7-9-11/h2-9H,1H3,(H2,17,18,20)
InChI Key:
XLQRKSSBHMTBMA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1NC(=O)Nc1ccc(cc1)Cl
NSC Number:
33740
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.73g/mol
Monoisotopic Mass:
304.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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