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4-chlorobenzoyl cyanide

4-chlorobenzoyl cyanide

CAS: 13014-48-7

Formula: C8H4ClNO

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

IUPAC: 4-chlorobenzoyl cyanide

InChI: InChI=1S/C8H4ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H

Composition: C (58.03%), H (2.44%), Cl (21.41%), N (8.46%), O (9.66%)

Molar Mass: 165.58

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 164.9981415
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UDBBCXDMJVNFLI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.04
Topological Polar Surface Area 40.86
Polarizability 15.8
Ring Count 1
Rotatable Bond Count 1

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95% <7 Days 13014-48-7 $245.30-$355.01$245.30$355.01
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99% <6 Days 13014-48-7 $142.60-$2,602.45$142.60$564.65$2,602.45
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96% <2 Days 13014-48-7 $43.70-$736.00$43.70$181.70$736.00
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