4-bromo-2-formylbenzonitrile

4-bromo-2-formylbenzonitrile

CAS: 713141-12-9

Formula: C8H4BrNO

SMILES: BrC1=CC(C=O)=C(C=C1)C#N

IUPAC: 4-bromo-2-formylbenzonitrile

InChI: InChI=1S/C8H4BrNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,5H

Composition: C (45.75%), H (1.92%), Br (38.04%), N (6.67%), O (7.62%)

Molar Mass: 210.03

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.947627
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	TWBKTVRLNPAITK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.99
Topological Polar Surface Area	40.86
Polarizability	16.92
Ring Count	1
Rotatable Bond Count	1

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