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205928-88-7 | Isoxazole, 5-(bromomethyl)-3-(3-chlorophenyl)-
CAS No: 205928-88-7 Catalog No: AG002AFB MDL No:
Product Description
Catalog Number:
AG002AFB
Chemical Name:
Isoxazole, 5-(bromomethyl)-3-(3-chlorophenyl)-
CAS Number:
205928-88-7
Molecular Formula:
C10H7BrClNO
Molecular Weight:
272.5257
IUPAC Name:
5-(bromomethyl)-3-(3-chlorophenyl)-1,2-oxazole
InChI:
InChI=1S/C10H7BrClNO/c11-6-9-5-10(13-14-9)7-2-1-3-8(12)4-7/h1-5H,6H2
InChI Key:
LINAJYANHJQXFP-UHFFFAOYSA-N
SMILES:
BrCc1onc(c1)c1cccc(c1)Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.94g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.526g/mol
Monoisotopic Mass:
270.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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