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5-amino-6-bromonaphthalene-1-carbonitrile

5-amino-6-bromonaphthalene-1-carbonitrile

CAS: 1240642-73-2

Formula: C11H7BrN2

SMILES: NC1=C(Br)C=CC2=C(C=CC=C12)C#N

IUPAC: 5-amino-6-bromonaphthalene-1-carbonitrile

InChI: InChI=1S/C11H7BrN2/c12-10-5-4-8-7(6-13)2-1-3-9(8)11(10)14/h1-5H,14H2

Composition: C (53.47%), H (2.86%), Br (32.34%), N (11.34%)

Molar Mass: 247.095

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 245.979261
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LAOAPHCPPMKGTI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.55
Topological Polar Surface Area 49.81
Polarizability 23.48
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1240642-73-2 $351.54-$589.68$351.54$589.68
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