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7-bromo-4-(2,2,12,12-tetramethyl-5,9-dioxa-7-aza-2,12-disilatridecan-7-yl)pyrrolo[2,1-f][1,2,4]triazine

7-bromo-4-(2,2,12,12-tetramethyl-5,9-dioxa-7-aza-2,12-disilatridecan-7-yl)pyrrolo[2,1-f][1,2,4]triazine

CAS: 2088371-56-4

Formula: C18H33BrN4O2Si2

SMILES: C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)C1=NC=NN2C(Br)=CC=C12

IUPAC: 7-bromo-4-(2,2,12,12-tetramethyl-5,9-dioxa-7-aza-2,12-disilatridecan-7-yl)pyrrolo[2,1-f][1,2,4]triazine

InChI: InChI=1S/C18H33BrN4O2Si2/c1-26(2,3)11-9-24-14-22(15-25-10-12-27(4,5)6)18-16-7-8-17(19)23(16)21-13-20-18/h7-8,13H,9-12,14-15H2,1-6H3

Composition: C (45.65%), H (7.02%), Br (16.87%), N (11.83%), O (6.76%), Si (11.86%)

Molar Mass: 473.562

Atom Count: 60

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 472.132542
Formal Charge 0
FSP3 0.67
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey XOYIKTSANMDQBM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 119.51
Topological Polar Surface Area 51.89
Polarizability 46.37
Ring Count 2
Rotatable Bond Count 11

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2088371-56-4 $342.70-$2,297.70$342.70$572.70$977.50$1,587.00$2,297.70
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