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130800-76-9 | Isoxazole, 5-(3-chloropropyl)-3-methyl-
CAS No: 130800-76-9 Catalog No: AG000UYQ MDL No:
Product Description
Catalog Number:
AG000UYQ
Chemical Name:
Isoxazole, 5-(3-chloropropyl)-3-methyl-
CAS Number:
130800-76-9
Molecular Formula:
C7H10ClNO
Molecular Weight:
159.6134
IUPAC Name:
5-(3-chloropropyl)-3-methyl-1,2-oxazole
InChI:
InChI=1S/C7H10ClNO/c1-6-5-7(10-9-6)3-2-4-8/h5H,2-4H2,1H3
InChI Key:
WKCCXMQDJNSMOT-UHFFFAOYSA-N
SMILES:
Cc1cc(on1)CCCCl
Properties
Complexity:
99.6
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:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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