Ozenoxacin Impurity 25

CAT: 1299-RM-O262425-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O262425-01Size:10 mg

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CAS Number

211576-36-2

Synonyms

Ethyl 3- (2,4-dichloro-3-methylphenyl) -3-oxopropanoate

Molecular Formula

C12H12Cl2O3

Molecular Weight

275.13

Target Alternative Name

Ozenoxacin

Product Name Synonym

Ethyl 3- (2,4-dichloro-3-methylphenyl) -3-oxopropanoate

Chemical Information

2,4-Dichloro-3-methyl-beta-oxobenzenepropanoic acid ethyl ester

CAS Number	211576-36-2
PubChem CID	141522634
IUPAC Name	ethyl 3-(2,4-dichloro-3-methylphenyl)-3-oxopropanoate
Molecular Formula	C12H12Cl2O3
Molecular Weight	275.12
XLogP	3.6
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	293

SMILES

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

InChI

InChI=1S/C12H12Cl2O3/c1-3-17-11(16)6-10(15)8-4-5-9(13)7(2)12(8)14/h4-5H,3,6H2,1-2H3

InChIKey

HEJVBDQUBYSFKG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 211576-36-2

CID: 141522634

Formula: C12H12Cl2O3

MW: 275.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.12
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	274.0163496
Monoisotopic Mass	274.0163496
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	293
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