CAY10731

CAT: 0013-GTR19345323-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19345323-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

CAY10731

CAS Number

2119597-33-8

Molecular Weight

497.297

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

carbonic acid, 2-bromoethyl 6'-methoxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3'-yl ester

CAS Number	2119597-33-8
PubChem CID	155906132
IUPAC Name	2-bromoethyl (6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) carbonate
Molecular Formula	C24H17BrO7
Molecular Weight	497.3
XLogP	5
Topological Polar Surface Area	80.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	716

SMILES

COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)OCCBr)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C24H17BrO7/c1-28-14-6-8-18-20(12-14)31-21-13-15(30-23(27)29-11-10-25)7-9-19(21)24(18)17-5-3-2-4-16(17)22(26)32-24/h2-9,12-13H,10-11H2,1H3

InChIKey

XOUSDCPPGSMKQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2119597-33-8

CID: 155906132

Formula: C24H17BrO7

MW: 497.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	497.3
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	496.01577
Monoisotopic Mass	496.01577
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	716
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T38370-01	CAY10731