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2-bromobenzoyl cyanide

2-bromobenzoyl cyanide

CAS: 88562-26-9

Formula: C8H4BrNO

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

IUPAC: 2-bromobenzoyl cyanide

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

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 ILFJVILOZNSZQQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.86
Topological Polar Surface Area 40.86
Polarizability 16.79
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 88562-26-9 $2,640.00-$4,410.00$2,640.00$4,410.00
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