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73076-37-6 | 4-Isoxazolecarboxamide, N-[4-(4-bromobenzoyl)phenyl]-5-methyl-
CAS No: 73076-37-6 Catalog No: AG005CIY MDL No:
Product Description
Catalog Number:
AG005CIY
Chemical Name:
4-Isoxazolecarboxamide, N-[4-(4-bromobenzoyl)phenyl]-5-methyl-
CAS Number:
73076-37-6
Molecular Formula:
C18H13BrN2O3
Molecular Weight:
385.2114
IUPAC Name:
N-[4-(4-bromobenzoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C18H13BrN2O3/c1-11-16(10-20-24-11)18(23)21-15-8-4-13(5-9-15)17(22)12-2-6-14(19)7-3-12/h2-10H,1H3,(H,21,23)
InChI Key:
ZTGRYIPJKFSGCO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1ccc(cc1)NC(=O)c1cnoc1C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.011g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.217g/mol
Monoisotopic Mass:
384.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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