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Home > Bromides > 1416374-63-4
1416374-63-4 | [1,2,4]Triazolo[1,5-a]pyrimidine, 7-(3-bromophenyl)-6-(3-methyl-5-isoxazolyl)-
CAS No: 1416374-63-4 Catalog No: AG001GRS MDL No:
Product Description
Catalog Number:
AG001GRS
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine, 7-(3-bromophenyl)-6-(3-methyl-5-isoxazolyl)-
CAS Number:
1416374-63-4
Molecular Formula:
C15H10BrN5O
Molecular Weight:
356.1768
IUPAC Name:
5-[7-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-methyl-1,2-oxazole
InChI:
InChI=1S/C15H10BrN5O/c1-9-5-13(22-20-9)12-7-17-15-18-8-19-21(15)14(12)10-3-2-4-11(16)6-10/h2-8H,1H3
InChI Key:
AWTHPSHGITXSAP-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1c(cnc2n1ncn2)c1onc(c1)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.007g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.183g/mol
Monoisotopic Mass:
355.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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