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126119-23-1 | Methyl 3-(3-Fluorophenyl)oxirane-2-carboxylate
CAS No: 126119-23-1 Catalog No: AG01FA0Z MDL No:
Product Description
Catalog Number:
AG01FA0Z
Chemical Name:
Methyl 3-(3-Fluorophenyl)oxirane-2-carboxylate
CAS Number:
126119-23-1
Molecular Formula:
C10H9FO3
Molecular Weight:
196.1751
IUPAC Name:
methyl 3-(3-fluorophenyl)oxirane-2-carboxylate
InChI:
InChI=1S/C10H9FO3/c1-13-10(12)9-8(14-9)6-3-2-4-7(11)5-6/h2-5,8-9H,1H3
InChI Key:
PIHQFYWGMXPPLZ-UHFFFAOYSA-N
SMILES:
COC(=O)C1OC1c1cccc(c1)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.177g/mol
Monoisotopic Mass:
196.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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