pentachlorobenzonitrile

pentachlorobenzonitrile

CAS: 20925-85-3

Formula: C7Cl5N

SMILES: ClC1=C(Cl)C(Cl)=C(C#N)C(Cl)=C1Cl

IUPAC: pentachlorobenzonitrile

InChI: InChI=1S/C7Cl5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10

Composition: C (30.54%), H (0.00%), Cl (64.38%), N (5.09%)

Molar Mass: 275.33

Atom Count: 13

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.8473375
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	INICGXSKJYKEIV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.8
Topological Polar Surface Area	23.79
Polarizability	21.98
Ring Count	1
Rotatable Bond Count	0

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