Dimethyl 4,4'-azanediyldibenzoate

CAT: 0127-OR1061077-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061077-01Size:100 mg

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CAS Number

17104-81-3

MDL Number

MFCD31657934

Purity

98%

Smiles

O=C(OC)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(OC)=O

Chemical Information

Dimethyl 4,4'-Azanediyldibenzoate

CAS Number	17104-81-3
PubChem CID	16086947
IUPAC Name	methyl 4-(4-methoxycarbonylanilino)benzoate
Molecular Formula	C16H15NO4
Molecular Weight	285.29
XLogP	3.8
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	321

SMILES

COC(=O)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H15NO4/c1-20-15(18)11-3-7-13(8-4-11)17-14-9-5-12(6-10-14)16(19)21-2/h3-10,17H,1-2H3

InChIKey

HJHRQHYHHLVOST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17104-81-3

CID: 16086947

Formula: C16H15NO4

MW: 285.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.29
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	285.10010796
Monoisotopic Mass	285.10010796
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	321
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

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