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methyl 3-amino-4-bromothieno[2,3-c]pyridine-2-carboxylate

methyl 3-amino-4-bromothieno[2,3-c]pyridine-2-carboxylate

CAS: 1572518-01-4

Formula: C9H7BrN2O2S

SMILES: COC(=O)C1=C(N)C2=C(Br)C=NC=C2S1

IUPAC: methyl 3-amino-4-bromothieno[2,3-c]pyridine-2-carboxylate

InChI: InChI=1S/C9H7BrN2O2S/c1-14-9(13)8-7(11)6-4(10)2-12-3-5(6)15-8/h2-3H,11H2,1H3

Composition: C (37.65%), H (2.46%), Br (27.83%), N (9.76%), O (11.14%), S (11.17%)

Molar Mass: 287.13

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 285.941162
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OTKZSKNQYWGGHL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.37
Topological Polar Surface Area 65.21
Polarizability 24.08
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1572518-01-4 $287.50-$1,334.00$287.50$402.50$805.00$1,334.00
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