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6-bromo-1-benzothiophene-2-carboxamide

6-bromo-1-benzothiophene-2-carboxamide

CAS: 1190198-27-6

Formula: C9H6BrNOS

SMILES: NC(=O)C1=CC2=CC=C(Br)C=C2S1

IUPAC: 6-bromo-1-benzothiophene-2-carboxamide

InChI: InChI=1S/C9H6BrNOS/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H2,11,12)

Composition: C (42.21%), H (2.36%), Br (31.20%), N (5.47%), O (6.25%), S (12.52%)

Molar Mass: 256.12

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.935348
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey GZBHJNHSMWCHEC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.88
Topological Polar Surface Area 43.09
Polarizability 22.15
Ring Count 2
Rotatable Bond Count 1

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95% <2 Days 1190198-27-6 $51.35-$292.79$51.35$63.37$86.31$292.79
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