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830326-85-7 | 3-Isoxazolecarboxamide, 4-amino-5-(4-bromobenzoyl)-N-methyl-
CAS No: 830326-85-7 Catalog No: AG004XZW MDL No:
Product Description
Catalog Number:
AG004XZW
Chemical Name:
3-Isoxazolecarboxamide, 4-amino-5-(4-bromobenzoyl)-N-methyl-
CAS Number:
830326-85-7
Molecular Formula:
C12H10BrN3O3
Molecular Weight:
324.1301
IUPAC Name:
4-amino-5-(4-bromobenzoyl)-N-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C12H10BrN3O3/c1-15-12(18)9-8(14)11(19-16-9)10(17)6-2-4-7(13)5-3-6/h2-5H,14H2,1H3,(H,15,18)
InChI Key:
WDWBJDYVLPXCJF-UHFFFAOYSA-N
SMILES:
CNC(=O)c1noc(c1N)C(=O)c1ccc(cc1)Br
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.134g/mol
Monoisotopic Mass:
322.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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