Ozenoxacin Impurity 63

CAT: 1299-RM-O262463-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O262463-01Size:10 mg

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CAS Number

2241304-69-6

Synonyms

Ethyl 2- (2,4-dichloro-3-methylbenzoyl) -3- (dimethylamino) acrylate

Molecular Formula

C15H17Cl2NO3

Molecular Weight

330.21

Target Alternative Name

Ozenoxacin

Product Name Synonym

Ethyl 2- (2,4-dichloro-3-methylbenzoyl) -3- (dimethylamino) acrylate

Chemical Information

Ozefloxacin Impurity 9

CAS Number	2241304-69-6
PubChem CID	152050176
IUPAC Name	ethyl 2-(2,4-dichloro-3-methylbenzoyl)-3-(dimethylamino)prop-2-enoate
Molecular Formula	C15H17Cl2NO3
Molecular Weight	330.2
XLogP	4
Topological Polar Surface Area	46.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	423

SMILES

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

InChI

InChI=1S/C15H17Cl2NO3/c1-5-21-15(20)11(8-18(3)4)14(19)10-6-7-12(16)9(2)13(10)17/h6-8H,5H2,1-4H3

InChIKey

UQNBYZNTXBPBBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2241304-69-6

CID: 152050176

Formula: C15H17Cl2NO3

MW: 330.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.2
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	329.0585488
Monoisotopic Mass	329.0585488
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	423
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes