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Home > Fluorides > 1021088-77-6
1021088-77-6 | Carbamic acid, N-[3-fluoro-4-(3-oxo-1-pyrrolidinyl)phenyl]-, phenylmethyl ester
CAS No: 1021088-77-6 Catalog No: AG0006MQ MDL No:
Product Description
Catalog Number:
AG0006MQ
Chemical Name:
Carbamic acid, N-[3-fluoro-4-(3-oxo-1-pyrrolidinyl)phenyl]-, phenylmethyl ester
CAS Number:
1021088-77-6
Molecular Formula:
C18H17FN2O3
Molecular Weight:
328.3376
IUPAC Name:
benzyl N-[3-fluoro-4-(3-oxopyrrolidin-1-yl)phenyl]carbamate
InChI:
InChI=1S/C18H17FN2O3/c19-16-10-14(6-7-17(16)21-9-8-15(22)11-21)20-18(23)24-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,23)
InChI Key:
BPOMDVXGSOSQMV-UHFFFAOYSA-N
SMILES:
O=C1CCN(C1)c1ccc(cc1F)NC(=O)OCc1ccccc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.343g/mol
Monoisotopic Mass:
328.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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