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Home > Fluorides > 1272756-24-7
1272756-24-7 | Benzoic acid, 2-fluoro-4-(4-morpholinyl)-, phenylmethyl ester
CAS No: 1272756-24-7 Catalog No: AG000WUR MDL No:MFCD18651702
Product Description
Catalog Number:
AG000WUR
Chemical Name:
Benzoic acid, 2-fluoro-4-(4-morpholinyl)-, phenylmethyl ester
CAS Number:
1272756-24-7
Molecular Formula:
C18H18FNO3
Molecular Weight:
315.3388
MDL Number:
MFCD18651702
IUPAC Name:
benzyl 2-fluoro-4-morpholin-4-ylbenzoate
InChI:
InChI=1S/C18H18FNO3/c19-17-12-15(20-8-10-22-11-9-20)6-7-16(17)18(21)23-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChI Key:
NXTXMWHBBCWSEX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1F)N1CCOCC1)OCc1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.344g/mol
Monoisotopic Mass:
315.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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