Avanafil Impurity 89

CAT: 1299-RM-A164217-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A164217-02Size:25 mg

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CAS Number

51940-64-8

Synonyms

Ethyl 2,4-dichloropyrimidine-5-carboxylate

Molecular Formula

C7H6Cl2N2O2

Molecular Weight

221.04

Target Alternative Name

Avanafil

Product Name Synonym

Ethyl 2,4-dichloropyrimidine-5-carboxylate

Chemical Information

Ethyl 2,4-dichloropyrimidine-5-carboxylate

CAS Number	51940-64-8
PubChem CID	104020
IUPAC Name	ethyl 2,4-dichloropyrimidine-5-carboxylate
Molecular Formula	C7H6Cl2N2O2
Molecular Weight	221.04
XLogP	2.3
Topological Polar Surface Area	52.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	191

SMILES

CCOC(=O)C1=CN=C(N=C1Cl)Cl

InChI

InChI=1S/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3

InChIKey

SRJBDGLSCPDXBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51940-64-8

CID: 104020

Formula: C7H6Cl2N2O2

MW: 221.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.04
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	219.9806328
Monoisotopic Mass	219.9806328
Topological Polar Surface Area	52.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	191
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-A164101-01	Avanafil Impurity A
RM-A164108-01	Avanafil Impurity H (R-Avanafil)
RM-A164183-01	Avanafil Impurity 57
RM-A164147-01	Avanafil Impurity 21
RM-A164149-01	Avanafil Impurity 23
RM-A164118-01	Avanafil Impurity R
RM-A164196-01	Avanafil Impurity 70
RM-A164197-01	Avanafil Impurity 71
RM-A164199-01	Avanafil Impurity 73
RM-A164201-01	Avanafil Impurity 74