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3-(bromomethyl)-1-benzothiophene

3-(bromomethyl)-1-benzothiophene

CAS: 1196-19-6

Formula: C9H7BrS

SMILES: BrCC1=CSC2=CC=CC=C12

IUPAC: 3-(bromomethyl)-1-benzothiophene

InChI: InChI=1S/C9H7BrS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5H2

Composition: C (47.60%), H (3.11%), Br (35.18%), S (14.12%)

Molar Mass: 227.12

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 225.945184
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey WYKHJZSILIVQKU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.25
Topological Polar Surface Area 0
Polarizability 20.93
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1196-19-6 $554.00$554.00
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