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[(3-acetyl-4-bromophenyl)sulfanyl]formonitrile

[(3-acetyl-4-bromophenyl)sulfanyl]formonitrile

Formula: C9H6BrNOS

SMILES: CC(=O)C1=C(Br)C=CC(SC#N)=C1

IUPAC: [(3-acetyl-4-bromophenyl)sulfanyl]formonitrile

InChI: InChI=1S/C9H6BrNOS/c1-6(12)8-4-7(13-5-11)2-3-9(8)10/h2-4H,1H3

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 1
Asymmetric Atom Count 0
Exact Mass 254.935348
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KSTFJYHGNWSUMD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.95
Topological Polar Surface Area 40.86
Polarizability 21.65
Ring Count 1
Rotatable Bond Count 2

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Chemcia Scientific, LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C9H6BrNOS $258.75-$776.25$258.75$373.75$776.25
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