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822-48-0 | 3-(Chloromethyl);-3-methyloxetane
CAS No: 822-48-0 Catalog No: AG003I7B MDL No:MFCD01709552
Product Description
Catalog Number:
AG003I7B
Chemical Name:
3-(Chloromethyl);-3-methyloxetane
CAS Number:
822-48-0
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
MDL Number:
MFCD01709552
IUPAC Name:
3-(chloromethyl)-3-methyloxetane
InChI:
InChI=1S/C5H9ClO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
InChI Key:
MCZYEFODKAZWIH-UHFFFAOYSA-N
SMILES:
ClCC1(C)COC1
Properties
Complexity:
68.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.034g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.576g/mol
Monoisotopic Mass:
120.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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