2-chloro-6-(dibromomethyl)-3-fluorobenzonitrile

2-chloro-6-(dibromomethyl)-3-fluorobenzonitrile

CAS: 1134335-07-1

Formula: C8H3Br2ClFN

SMILES: FC1=C(Cl)C(C#N)=C(C=C1)C(Br)Br

IUPAC: 2-chloro-6-(dibromomethyl)-3-fluorobenzonitrile

InChI: InChI=1S/C8H3Br2ClFN/c9-8(10)4-1-2-6(12)7(11)5(4)3-13/h1-2,8H

Composition: C (29.35%), H (0.92%), Br (48.81%), Cl (10.83%), F (5.80%), N (4.28%)

Molar Mass: 327.38

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	324.830481
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PDAXKKVQGYJLIT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.36
Topological Polar Surface Area	23.79
Polarizability	21.64
Ring Count	1
Rotatable Bond Count	1

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