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3-(5-chloropyridin-2-yl)-3-oxopropanenitrile

3-(5-chloropyridin-2-yl)-3-oxopropanenitrile

CAS: 1107053-87-1

Formula: C8H5ClN2O

SMILES: ClC1=CN=C(C=C1)C(=O)CC#N

IUPAC: 3-(5-chloropyridin-2-yl)-3-oxopropanenitrile

InChI: InChI=1S/C8H5ClN2O/c9-6-1-2-7(11-5-6)8(12)3-4-10/h1-2,5H,3H2

Composition: C (53.21%), H (2.79%), Cl (19.63%), N (15.51%), O (8.86%)

Molar Mass: 180.59

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 180.0090405
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey OKGMUQGXZMBDMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.06
Topological Polar Surface Area 53.75
Polarizability 16.8
Ring Count 1
Rotatable Bond Count 2

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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1107053-87-1 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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Struchem co.,ltd
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95% <5 Days 1107053-87-1 $1,300.00-$2,420.00$1,300.00$1,900.00$2,420.00
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