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20632-57-9 | Benzoic acid, 3-[[(phenylamino)carbonyl]amino]-
CAS No: 20632-57-9 Catalog No: AG002IF9 MDL No:MFCD00593952
Product Description
Catalog Number:
AG002IF9
Chemical Name:
Benzoic acid, 3-[[(phenylamino)carbonyl]amino]-
CAS Number:
20632-57-9
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
MDL Number:
MFCD00593952
IUPAC Name:
3-(phenylcarbamoylamino)benzoic acid
InChI:
InChI=1S/C14H12N2O3/c17-13(18)10-5-4-8-12(9-10)16-14(19)15-11-6-2-1-3-7-11/h1-9H,(H,17,18)(H2,15,16,19)
InChI Key:
NPUMZPHLELCFCT-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)Nc1cccc(c1)C(=O)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase. | European journal of medicinal chemistry 20100201 |
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