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89812-72-6 | Benzoic acid, 2-[(1H-pyrrol-2-ylcarbonyl)amino]-, methyl ester
CAS No: 89812-72-6 Catalog No: AG003ZAK MDL No:
Product Description
Catalog Number:
AG003ZAK
Chemical Name:
Benzoic acid, 2-[(1H-pyrrol-2-ylcarbonyl)amino]-, methyl ester
CAS Number:
89812-72-6
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
methyl 2-(1H-pyrrole-2-carbonylamino)benzoate
InChI:
InChI=1S/C13H12N2O3/c1-18-13(17)9-5-2-3-6-10(9)15-12(16)11-7-4-8-14-11/h2-8,14H,1H3,(H,15,16)
InChI Key:
AVCSIPVWKUUHAZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1NC(=O)c1ccc[nH]1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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