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879884-50-1 | Isoxazole, 5-(4-bromophenyl)-3,4-dimethyl-
CAS No: 879884-50-1 Catalog No: AG004HRQ MDL No:
Product Description
Catalog Number:
AG004HRQ
Chemical Name:
Isoxazole, 5-(4-bromophenyl)-3,4-dimethyl-
CAS Number:
879884-50-1
Molecular Formula:
C11H10BrNO
Molecular Weight:
252.1072
IUPAC Name:
5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole
InChI:
InChI=1S/C11H10BrNO/c1-7-8(2)13-14-11(7)9-3-5-10(12)6-4-9/h3-6H,1-2H3
InChI Key:
KSRHVJOTSVMAIM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1onc(c1C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.111g/mol
Monoisotopic Mass:
250.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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