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8-bromo-6-chloro-2H-chromene-3-carbonitrile

8-bromo-6-chloro-2H-chromene-3-carbonitrile

CAS: 885271-10-3

Formula: C10H5BrClNO

SMILES: ClC1=CC(Br)=C2OCC(=CC2=C1)C#N

IUPAC: 8-bromo-6-chloro-2H-chromene-3-carbonitrile

InChI: InChI=1S/C10H5BrClNO/c11-9-3-8(12)2-7-1-6(4-13)5-14-10(7)9/h1-3H,5H2

Composition: C (44.40%), H (1.86%), Br (29.54%), Cl (13.10%), N (5.18%), O (5.91%)

Molar Mass: 270.51

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 268.924304
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GHFLRWHYKRVUGS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.8
Topological Polar Surface Area 33.02
Polarizability 22.03
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 885271-10-3 $457.70-$1,598.50$457.70$1,598.50
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