1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-O-tert-butyl 3-O-methyl 5-(2,4-difluorophenyl)-4-methoxypyrrole-1,3-dicarboxylate

2.1.2 InChI

InChI=1S/C18H19F2NO5/c1-18(2,3)26-17(23)21-9-12(16(22)25-5)15(24-4)14(21)11-7-6-10(19)8-13(11)20/h6-9H,1-5H3

2.1.3 InChI Key

RBSUVNKSTRDWQE-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 2258638-53-6

2. Schembl22067701

2.3 Create Date

2020-06-27

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₉F₂NO₅
Molecular Weight	367.3 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	66.8
Heavy Atom Count	26
Formal Charge	0
Complexity	524
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 2258638-53-6