Doravirine Impurity 5

CAT: 1299-RM-D750005-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D750005-01Size:10 mg

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CAS Number

1613307-27-9

Synonyms

Ethyl 2- (3-chloro-5-cyanophenoxy) acetate

Molecular Formula

C11H10ClNO3

Molecular Weight

239.66

Target Alternative Name

Doravirine

Product Name Synonym

Ethyl 2- (3-chloro-5-cyanophenoxy) acetate

Chemical Information

Acetic acid, 2-(3-chloro-5-cyanophenoxy)-, ethyl ester

CAS Number	1613307-27-9
PubChem CID	90205380
IUPAC Name	ethyl 2-(3-chloro-5-cyanophenoxy)acetate
Molecular Formula	C11H10ClNO3
Molecular Weight	239.65
XLogP	2.5
Topological Polar Surface Area	59.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	286

SMILES

CCOC(=O)COC1=CC(=CC(=C1)C#N)Cl

InChI

InChI=1S/C11H10ClNO3/c1-2-15-11(14)7-16-10-4-8(6-13)3-9(12)5-10/h3-5H,2,7H2,1H3

InChIKey

KESOHXVPDGLZFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1613307-27-9

CID: 90205380

Formula: C11H10ClNO3

MW: 239.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.65
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	239.0349209
Monoisotopic Mass	239.0349209
Topological Polar Surface Area	59.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	286
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
RM-D750001-01	Doravirine Impurity 1
RM-D750003-01	Doravirine Impurity 3
RM-D750004-01	Doravirine Impurity 4
RM-D750002-01	Doravirine Impurity 2
RM-G271005-01	Gc376 Impurity 5; Nirmatrelvir Impurity
RM-A463005-01	Andrographolide Impurity 5
RM-D201927-01	5β-Dutasteride Impurity
RM-M150905-01	Morinidazole Impurity 5
RM-L052505-01	Levodropropizine Impurity 5
RM-F123705-01	Florfenicol Impurity 5

Catalog	Name
TRC-D534255-10MG	Doravirine
AR-D07590-01	Doravirine-13C6