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1018128-18-1 | Isoxazole, 3-(chloromethyl)-5-(1-methylethyl)-
CAS No: 1018128-18-1 Catalog No: AG0005LV MDL No:MFCD09859196
Product Description
Catalog Number:
AG0005LV
Chemical Name:
Isoxazole, 3-(chloromethyl)-5-(1-methylethyl)-
CAS Number:
1018128-18-1
Molecular Formula:
C7H10ClNO
Molecular Weight:
159.6134
MDL Number:
MFCD09859196
IUPAC Name:
3-(chloromethyl)-5-propan-2-yl-1,2-oxazole
InChI:
InChI=1S/C7H10ClNO/c1-5(2)7-3-6(4-8)9-10-7/h3,5H,4H2,1-2H3
InChI Key:
UGAJDIZLJMKLBN-UHFFFAOYSA-N
SMILES:
ClCc1noc(c1)C(C)C
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.613g/mol
Monoisotopic Mass:
159.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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