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115952-61-9 | Propanoic acid, 3-fluoro-, phenylmethyl ester
CAS No: 115952-61-9 Catalog No: AG000H7D MDL No:MFCD21332902
Product Description
Catalog Number:
AG000H7D
Chemical Name:
Propanoic acid, 3-fluoro-, phenylmethyl ester
CAS Number:
115952-61-9
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
MDL Number:
MFCD21332902
IUPAC Name:
benzyl 3-fluoropropanoate
InChI:
InChI=1S/C10H11FO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
WSBVWPKJUJCDIR-UHFFFAOYSA-N
SMILES:
FCCC(=O)OCc1ccccc1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.194g/mol
Monoisotopic Mass:
182.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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