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3-(2-bromoethyl)-5-methyl-1H-indole

3-(2-bromoethyl)-5-methyl-1H-indole

CAS: 1260675-08-8

Formula: C11H12BrN

SMILES: CC1=CC=C2NC=C(CCBr)C2=C1

IUPAC: 3-(2-bromoethyl)-5-methyl-1H-indole

InChI: InChI=1S/C11H12BrN/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5H2,1H3

Composition: C (55.48%), H (5.08%), Br (33.56%), N (5.88%)

Molar Mass: 238.128

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.015312
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 1
InChIKey MRDJFDQVUHMPBU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.79
Topological Polar Surface Area 15.79
Polarizability 23.46
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1260675-08-8 $1,760.00-$2,574.00$1,760.00$1,960.00$2,574.00
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