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BCDA 25mg

CAT: 0628-A11833-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A11833-25Size:25 mg
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CAS Number
3252-36-6

Chemical Information

5-Bromo-4-chloro-3-indolyl acetate

5-bromo-4-chloro-3-indolyl acetate is an acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of 5-bromo-4-chloroindoxyl. It has a role as a chromogenic compound. It is an acetate ester, a chloroindole and a bromoindole. It is functionally related to an indoxyl.

CAS Number3252-36-6
PubChem CID65116
IUPAC Name(5-bromo-4-chloro-1H-indol-3-yl) acetate
Molecular FormulaC10H7BrClNO2
Molecular Weight288.52
XLogP3.1
Topological Polar Surface Area42.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity264
SMILES
CC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
InChI
InChI=1S/C10H7BrClNO2/c1-5(14)15-8-4-13-7-3-2-6(11)10(12)9(7)8/h2-4,13H,1H3
InChIKey
WPWLFFMSSOAORQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-4-chloro-3-indolyl acetate
CAS: 3252-36-6
CID: 65116
Formula: C10H7BrClNO2
MW: 288.52
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.52
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass286.93487
Monoisotopic Mass286.93487
Topological Polar Surface Area42.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity264
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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