Dapagliflozin Bromomethanone

CAT: 1596-AR-D01132-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D01132-01Size:10 Units

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CAS Number

461432-22-4

Synonyms

(5-bromo-2-chlorophenyl) (4-ethoxyphenyl) methanone

Molecular Formula

C15H12BrClO2

Molecular Weight

339.62

API Name

Dapagliflozin

Chemical Information

(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone

CAS Number	461432-22-4
PubChem CID	10020105
IUPAC Name	(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone
Molecular Formula	C15H12BrClO2
Molecular Weight	339.61
XLogP	4.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	303

SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3

InChIKey

OEURLNJEQCLGPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 461432-22-4

CID: 10020105

Formula: C15H12BrClO2

MW: 339.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.61
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	337.97092
Monoisotopic Mass	337.97092
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	303
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
AR-D01125-01	Dapagliflozin
AR-D01137-01	Dapagliflozin Dimer
AR-D01123-01	Dapagliflozin-d5
AR-D06376-01	Dapagliflozin-13C6
AR-D01124-01	Dapagliflozin-d7
AR-D01144-01	Dapagliflozin-13C6
AR-D01140-01	Ent-Dapagliflozin
AR-D06021-01	Dimethoxy Dapagliflozin
AR-D06030-01	Dapagliflozin Propanediol
AR-D01154-01	Dapagliflozin Tetraacetate

Catalog	Name
MBS8506538-01	Dapagliflozin