Avanafil Impurity 83

CAT: 1299-RM-A164210-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A164210-02Size:25 mg

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CAS Number

726205-58-9

Synonyms

N- (3-chloro-4-methoxybenzyl) acetamide

Molecular Formula

C10H12ClNO2

Molecular Weight

213.66

Target Alternative Name

Avanafil

Product Name Synonym

N- (3-chloro-4-methoxybenzyl) acetamide

Chemical Information

N-(3-chloro-4-methoxybenzyl)acetamide

CAS Number	726205-58-9
PubChem CID	110780063
IUPAC Name	N-[(3-chloro-4-methoxyphenyl)methyl]acetamide
Molecular Formula	C10H12ClNO2
Molecular Weight	213.66
XLogP	1.6
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	199

SMILES

CC(=O)NCC1=CC(=C(C=C1)OC)Cl

InChI

InChI=1S/C10H12ClNO2/c1-7(13)12-6-8-3-4-10(14-2)9(11)5-8/h3-5H,6H2,1-2H3,(H,12,13)

InChIKey

TXKUZRMCVHZZPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 726205-58-9

CID: 110780063

Formula: C10H12ClNO2

MW: 213.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.66
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	213.0556563
Monoisotopic Mass	213.0556563
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	199
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-A164182-01	Avanafil Impurity 56
RM-A164163-01	Avanafil Impurity 37
RM-A164240-01	Avanafil Impurity 112
RM-A164126-01	Avanafil Impurity Z
RM-A164121-01	Avanafil Impurity U
RM-A164116-01	Avanafil Impurity P
RM-A164192-01	Avanafil Impurity 66
RM-A164193-01	Avanafil Impurity 67