5-Bromo-6-methylindole

CAT: 0926-AQB34313Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-AQB34313Size:5 g

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CAS Number

1000343-13-4

MDL Number

MFCD09026969

Smiles

C1=CC (=C (C (=C1C (=O) O) F) OC (F) (F) F) Br

Molecular Formula

C9H8BrN

Molecular Weight

210.07 g/mol

Controlled

Chemical Information

5-bromo-6-methyl-1H-indole

CAS Number	1000343-13-4
PubChem CID	24729241
IUPAC Name	5-bromo-6-methyl-1H-indole
Molecular Formula	C9H8BrN
Molecular Weight	210.07
XLogP	3.1
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	148

SMILES

CC1=CC2=C(C=CN2)C=C1Br

InChI

InChI=1S/C9H8BrN/c1-6-4-9-7(2-3-11-9)5-8(6)10/h2-5,11H,1H3

InChIKey

VHHRJOFNSFDEHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1000343-13-4

CID: 24729241

Formula: C9H8BrN

MW: 210.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.07
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	208.98401
Monoisotopic Mass	208.98401
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	148
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
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OR303144	6-Bromo-1-methylindole-2-carbaldehyde
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OR927482-01	Methyl 6-bromo-1-methylindole-2-carboxylate