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8-bromo-3,5-dihydrospiro[1,5-benzoxazepine-2,4'-oxan]-4-one

8-bromo-3,5-dihydrospiro[1,5-benzoxazepine-2,4'-oxan]-4-one

CAS: 2695508-66-6

Formula: C13H14BrNO3

SMILES: BrC1=CC=C2NC(=O)CC3(CCOCC3)OC2=C1

IUPAC: 8-bromo-4,5-dihydro-3H-spiro[1,5-benzoxazepine-2,4'-oxan]-4-one

InChI: InChI=1S/C13H14BrNO3/c14-9-1-2-10-11(7-9)18-13(8-12(16)15-10)3-5-17-6-4-13/h1-2,7H,3-6,8H2,(H,15,16)

Composition: C (50.02%), H (4.52%), Br (25.60%), N (4.49%), O (15.38%)

Molar Mass: 312.163

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 311.015706
Formal Charge 0
FSP3 0.46
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LHEHDOXCTYMMBT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.51
Topological Polar Surface Area 47.56
Polarizability 27.22
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2695508-66-6 $286.35-$7,912.00$286.35$457.70$687.70$1,147.70$2,162.00$7,912.00
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