1-Acetyl-5-Bromoindole

CAT: 0127-OR1028486-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1028486-01Size:100 mg

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

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CAS Number

61995-52-6

Synonyms

1- (5-bromoindol-1-yl) ethanoneÊÊ

Purity

97%

Smiles

CC(=O)N1C=CC2=C1C=CC(=C2)Br

Chemical Information

1-Acetyl-5-bromoindole

CAS Number	61995-52-6
PubChem CID	12318076
IUPAC Name	1-(5-bromoindol-1-yl)ethanone
Molecular Formula	C10H8BrNO
Molecular Weight	238.08
XLogP	2.6
Topological Polar Surface Area	22
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	219

SMILES

CC(=O)N1C=CC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H8BrNO/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-6H,1H3

InChIKey

BOMKWHSZGCMFEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61995-52-6

CID: 12318076

Formula: C10H8BrNO

MW: 238.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.08
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	236.97893
Monoisotopic Mass	236.97893
Topological Polar Surface Area	22 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	219
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
OR1021903	7-Acetyl-5-bromoindole
OR95746-01	1-Acetyl-3-bromoindole
BUP19456	5-Bromoindole
OR1084365	1-Acetyl-5-bromoindazole
OR25617-01	1-Acetyl-5-bromoindoline
OR10201-01	5-Bromoindole-3-acetic acid
OR460023-01	N-Boc-5-bromoindole
BIB6010-01	5-Bromoindole-3-acetamide
OR82570-01	5-Bromoindole-2-carboxaldehyde
OR90331-01	3-Bromoindole-5-carboxylic Acid

Catalog	Name
FA67522-01	1-Acetyl-5-bromoindole
sc-206121	1-acetyl-3-acetyloxy-5-bromoindole
abx181521-01	1-Acetyl-3-bromoindole
RMA18182-01	3-Acetyl-6-bromoindole
MBS3846885-01	5-Bromoindole
408971-01	1-BOC-5-bromoindole
TRC-B300043-250MG	1-Benzyl-5-bromoindole