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5-bromo-3,4-dihydro-2H-1,4-benzoxazine

5-bromo-3,4-dihydro-2H-1,4-benzoxazine

CAS: 1402672-77-8

Formula: C8H8BrNO

SMILES: BrC1=CC=CC2=C1NCCO2

IUPAC: 5-bromo-3,4-dihydro-2H-1,4-benzoxazine

InChI: InChI=1S/C8H8BrNO/c9-6-2-1-3-7-8(6)10-4-5-11-7/h1-3,10H,4-5H2

Composition: C (44.89%), H (3.77%), Br (37.33%), N (6.54%), O (7.47%)

Molar Mass: 214.062

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.978927
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BIGYOTCGUIPBKO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.37
Topological Polar Surface Area 21.26
Polarizability 17.94
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1402672-77-8 $117.27-$232.02$117.27$232.02
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