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ethyl 3-amino-6-bromo-1H-indole-2-carboxylate

ethyl 3-amino-6-bromo-1H-indole-2-carboxylate

CAS: 1211661-21-0

Formula: C11H11BrN2O2

SMILES: CCOC(=O)C1=C(N)C2=CC=C(Br)C=C2N1

IUPAC: ethyl 3-amino-6-bromo-1H-indole-2-carboxylate

InChI: InChI=1S/C11H11BrN2O2/c1-2-16-11(15)10-9(13)7-4-3-6(12)5-8(7)14-10/h3-5,14H,2,13H2,1H3

Composition: C (46.67%), H (3.92%), Br (28.22%), N (9.89%), O (11.30%)

Molar Mass: 283.125

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 282.000391
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FFOVISYRUIVHAL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.12
Topological Polar Surface Area 68.11
Polarizability 25.71
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1211661-21-0 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
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