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1268245-50-6 | Isoxazole, 4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-
CAS No: 1268245-50-6 Catalog No: AG000TA7 MDL No:MFCD30531308
Product Description
Catalog Number:
AG000TA7
Chemical Name:
Isoxazole, 4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-
CAS Number:
1268245-50-6
Molecular Formula:
C13H10Cl3NO
Molecular Weight:
302.5836
MDL Number:
MFCD30531308
IUPAC Name:
4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole
InChI:
InChI=1S/C13H10Cl3NO/c14-6-8-12(17-18-13(8)7-4-5-7)11-9(15)2-1-3-10(11)16/h1-3,7H,4-6H2
InChI Key:
MDFXZDUEXDDCOP-UHFFFAOYSA-N
SMILES:
ClCc1c(onc1c1c(Cl)cccc1Cl)C1CC1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.983g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.579g/mol
Monoisotopic Mass:
300.983g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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