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1227268-89-4 | Benzoic acid, 4-[(2,2-dimethyl-1-oxopropyl)amino]-2,6-difluoro-, ethyl ester
CAS No: 1227268-89-4 Catalog No: AG000J4J MDL No:
Product Description
Catalog Number:
AG000J4J
Chemical Name:
Benzoic acid, 4-[(2,2-dimethyl-1-oxopropyl)amino]-2,6-difluoro-, ethyl ester
CAS Number:
1227268-89-4
Molecular Formula:
C14H17F2NO3
Molecular Weight:
285.2865
IUPAC Name:
ethyl 4-(2,2-dimethylpropanoylamino)-2,6-difluorobenzoate
InChI:
InChI=1S/C14H17F2NO3/c1-5-20-12(18)11-9(15)6-8(7-10(11)16)17-13(19)14(2,3)4/h6-7H,5H2,1-4H3,(H,17,19)
InChI Key:
HPHYDTSBGQIJDH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(F)cc(cc1F)NC(=O)C(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.118g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.291g/mol
Monoisotopic Mass:
285.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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