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3-bromobicyclo[1.1.1]pentane-1-carbonitrile

3-bromobicyclo[1.1.1]pentane-1-carbonitrile

CAS: 156329-61-2

Formula: C6H6BrN

SMILES: BrC12CC(C1)(C2)C#N

IUPAC: 3-bromobicyclo[1.1.1]pentane-1-carbonitrile

InChI: InChI=1S/C6H6BrN/c7-6-1-5(2-6,3-6)4-8/h1-3H2

Composition: C (41.89%), H (3.52%), Br (46.45%), N (8.14%)

Molar Mass: 172.025

Atom Count: 14

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 170.968362
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LJILZYCLVKHVJE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.99
Topological Polar Surface Area 23.79
Polarizability 13.02
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS UnitPrice
97% <10 Days 156329-61-2 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 156329-61-2 $1,030.24-$2,859.95$1,030.24$1,451.41$2,859.95
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