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827325-62-2 | Benzoic acid, 2-[[[(3-bromophenyl)amino]carbonyl]oxy]-4-chloro-
CAS No: 827325-62-2 Catalog No: AG00586N MDL No:
Product Description
Catalog Number:
AG00586N
Chemical Name:
Benzoic acid, 2-[[[(3-bromophenyl)amino]carbonyl]oxy]-4-chloro-
CAS Number:
827325-62-2
Molecular Formula:
C14H9BrClNO4
Molecular Weight:
370.5826
IUPAC Name:
2-[(3-bromophenyl)carbamoyloxy]-4-chlorobenzoic acid
InChI:
InChI=1S/C14H9BrClNO4/c15-8-2-1-3-10(6-8)17-14(20)21-12-7-9(16)4-5-11(12)13(18)19/h1-7H,(H,17,20)(H,18,19)
InChI Key:
AQVHUBROHKHLRM-UHFFFAOYSA-N
SMILES:
O=C(Oc1cc(Cl)ccc1C(=O)O)Nc1cccc(c1)Br
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.94g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.583g/mol
Monoisotopic Mass:
368.94g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Bioisosteric modifications of 2-arylureidobenzoic acids: selective noncompetitive antagonists for the homomeric kainate receptor subtype GluR5. | Journal of medicinal chemistry 20041230 |
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