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88975-11-5 | Propanedioic acid, (4-amino-2-fluorophenyl)methyl-, diethyl ester
CAS No: 88975-11-5 Catalog No: AG0045B1 MDL No:
Product Description
Catalog Number:
AG0045B1
Chemical Name:
Propanedioic acid, (4-amino-2-fluorophenyl)methyl-, diethyl ester
CAS Number:
88975-11-5
Molecular Formula:
C14H18FNO4
Molecular Weight:
283.2954
IUPAC Name:
diethyl 2-[(4-amino-2-fluorophenyl)methyl]propanedioate
InChI:
InChI=1S/C14H18FNO4/c1-3-19-13(17)11(14(18)20-4-2)7-9-5-6-10(16)8-12(9)15/h5-6,8,11H,3-4,7,16H2,1-2H3
InChI Key:
LOQNDQJZNJTKPD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1ccc(cc1F)N
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.299g/mol
Monoisotopic Mass:
283.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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