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7-tert-butyl 2-methyl 3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate

7-tert-butyl 2-methyl 3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate

CAS: 181873-33-6

Formula: C13H16BrNO4

SMILES: COC(=O)C1=C(Br)C2C=CC1N2C(=O)OC(C)(C)C

IUPAC: 7-tert-butyl 2-methyl 3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate

InChI: InChI=1/C13H16BrNO4/c1-13(2,3)19-12(17)15-7-5-6-8(15)10(14)9(7)11(16)18-4/h5-8H,1-4H3

Composition: C (47.29%), H (4.88%), Br (24.20%), N (4.24%), O (19.38%)

Molar Mass: 330.178

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 329.026271
Formal Charge 0
FSP3 0.54
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IYDVHSSMGFFQGK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.03
Topological Polar Surface Area 55.84
Polarizability 28.29
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 181873-33-6 $353.81-$1,562.65$353.81$604.42$1,562.65
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