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3-(5-chloro-2-hydroxyphenyl)-3-oxopropanenitrile

3-(5-chloro-2-hydroxyphenyl)-3-oxopropanenitrile

Formula: C9H6ClNO2

SMILES: OC1=C(C=C(Cl)C=C1)C(=O)CC#N

IUPAC: 3-(5-chloro-2-hydroxyphenyl)-3-oxopropanenitrile

InChI: InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9(13)3-4-11/h1-2,5,12H,3H2

Composition: C (55.26%), H (3.09%), Cl (18.12%), N (7.16%), O (16.36%)

Molar Mass: 195.6

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 195.0087061
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PATJXCBRJUYFQJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.57
Topological Polar Surface Area 61.09
Polarizability 18.28
Ring Count 1
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H6ClNO2 $2,200.00-$4,136.00$2,200.00$4,136.00
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