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287176-81-2 | Isoxazole, 4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methyl-
CAS No: 287176-81-2 Catalog No: AG002W8F MDL No:
Product Description
Catalog Number:
AG002W8F
Chemical Name:
Isoxazole, 4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methyl-
CAS Number:
287176-81-2
Molecular Formula:
C11H8BrCl2NO
Molecular Weight:
320.9973
IUPAC Name:
4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
InChI:
InChI=1S/C11H8BrCl2NO/c1-6-7(5-12)11(15-16-6)10-8(13)3-2-4-9(10)14/h2-4H,5H2,1H3
InChI Key:
DHHBTFDTRDVDID-UHFFFAOYSA-N
SMILES:
BrCc1c(C)onc1c1c(Cl)cccc1Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.917g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.995g/mol
Monoisotopic Mass:
318.917g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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