Products for Research Use Only

Indolyl-3-(ethyl-Beta-bromide)

CAT: 0572-TRC-I628000-5GSize: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-I628000-5GSize:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
3389-21-7
Synonyms
3-(2-Bromoethyl)indole; Indoramin Hydrochloride Imp. A (BP); Indoramin Hydrochloride Impurity A; Indoramin Impurity A
Hazard Statement
Causes skin irritation
Smiles
BrCCc1c[nH]c2ccccc12
Molecular Formula
C10 H10 Br N
Molecular Weight
224.1
InChI
InChI=1S/C10H10BrN/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2
Additionnal Information
IUPAC name: 3-(2-bromoethyl)-1H-indole
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-(2-Bromoethyl)indole

has antineoplastic activity; structure in first source

CAS Number3389-21-7
PubChem CID76924
IUPAC Name3-(2-bromoethyl)-1H-indole
Molecular FormulaC10H10BrN
Molecular Weight224.10
XLogP3.3
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity149
SMILES
C1=CC=C2C(=C1)C(=CN2)CCBr
InChI
InChI=1S/C10H10BrN/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2
InChIKey
NTLAICDKHHQUGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Bromoethyl)indole
CAS: 3389-21-7
CID: 76924
Formula: C10H10BrN
MW: 224.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight224.10
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass222.99966
Monoisotopic Mass222.99966
Topological Polar Surface Area15.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
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