Dimethyl bromoterephthalate

CAT: 0024-sc-281531Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-281531Size:1 g

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CAS Number

18643-86-2

Chemical Information

Dimethyl 2-bromoterephthalate

CAS Number	18643-86-2
PubChem CID	87741
IUPAC Name	dimethyl 2-bromobenzene-1,4-dicarboxylate
Molecular Formula	C10H9BrO4
Molecular Weight	273.08
XLogP	3.3
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	254

SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br

InChI

InChI=1S/C10H9BrO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3

InChIKey

VUMPFOPENBVFOF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18643-86-2

CID: 87741

Formula: C10H9BrO4

MW: 273.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.08
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	271.96842
Monoisotopic Mass	271.96842
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	254
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

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sc-486092	Dimethyl Methoxymalonate

Catalog	Name
OR96914-01	Dimethyl 2-bromoterephthalate
OR1040284-01	Di-tert-butyl 2-bromoterephthalate
442802-01	Bis (2-ethylhexyl) 2-Bromoterephthalate
GTR19203502-01	Chlorthal-dimethyl
GTR19201894	Dimethyl capramide
FD62526	Dimethyl Phthalate
FD40109-01	Dimethyl glutarate
FD34694-01	Dimethyl chlorothiophosphate
FD06000	Dimethyl epipodophyllotoxin
HDA49160	Dimethyl Cyclopentylmalonate