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3-bromo-1-benzothiophen-5-amine

3-bromo-1-benzothiophen-5-amine

CAS: 98434-36-7

Formula: C8H6BrNS

SMILES: NC1=CC=C2SC=C(Br)C2=C1

IUPAC: 3-bromo-1-benzothiophen-5-amine

InChI: InChI=1S/C8H6BrNS/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H,10H2

Composition: C (42.12%), H (2.65%), Br (35.03%), N (6.14%), S (14.05%)

Molar Mass: 228.11

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 226.940433
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey IIBSNWCQSOIJIO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.72
Topological Polar Surface Area 26.02
Polarizability 20.37
Ring Count 2
Rotatable Bond Count 0

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