Diphenyl imidodicarboxylate

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CAS Number

99911-94-1

MDL Number

MFCD27980609

Purity

=95%

Smiles

O=C(NC(=O)Oc1ccccc1)Oc2ccccc2

Chemical Information

phenyl N-(phenoxycarbonyl)carbamate

CAS Number	99911-94-1
PubChem CID	11043392
IUPAC Name	phenyl N-phenoxycarbonylcarbamate
Molecular Formula	C14H11NO4
Molecular Weight	257.24
XLogP	2.9
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	277

SMILES

C1=CC=C(C=C1)OC(=O)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H11NO4/c16-13(18-11-7-3-1-4-8-11)15-14(17)19-12-9-5-2-6-10-12/h1-10H,(H,15,16,17)

InChIKey

FOXXAQRNEIMDEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99911-94-1

CID: 11043392

Formula: C14H11NO4

MW: 257.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.24
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	257.06880783
Monoisotopic Mass	257.06880783
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	277
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
Compound Is Canonicalized	Yes

Catalog	Name
OR1012981-01	Diphenyl Phosphoramidate
OR80648-01	Diphenyl phthalate
OR46509-01	Diphenyl ether
OR1029438-01	Diphenyl Phenylphosphonate
BUP19760	Diphenyl Blue
BUP19164	Diphenyl phosphate
OR0791-01	Diphenyl sulphoxide
BUP17397-01	Diphenyl sulfide
BUP19757-01	Diphenyl oxide
BUP19551	Diphenyl disulfide

Catalog	Name
ZDA91194-01	Diphenyl imidodicarboxylate
FD40111-01	Diphenyl disulfide
FD32325-01	Diphenyl sulfoxide
FD167116-01	Diphenyl phosphate
FD00497-01	Diphenyl diselenide
273476-01	Diphenyl carbonate
163887	Diphenyl Terephthalate
447337-01	Diphenyl Methylphosphonate
T20241-01	Diphenyl phthalate
RG-E140229-01	Diphenyl methoxyiminodicarbonate