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methyl N-[(3R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl]carbamate

methyl N-[(3R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl]carbamate

CAS: 1034000-36-6

Formula: C11H11F2NO3

SMILES: COC(=O)N[C@H]1COC2=C(C1)C=C(F)C=C2F

IUPAC: methyl N-[(3R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl]carbamate

InChI: InChI=1S/C11H11F2NO3/c1-16-11(15)14-8-3-6-2-7(12)4-9(13)10(6)17-5-8/h2,4,8H,3,5H2,1H3,(H,14,15)/t8-/m1/s1

Composition: C (54.32%), H (4.56%), F (15.62%), N (5.76%), O (19.73%)

Molar Mass: 243.21

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 243.070699544
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey TZCLAZJPZGHFBN-MRVPVSSYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.95
Topological Polar Surface Area 47.56
Polarizability 20.95
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1034000-36-6 $479.18-$5,922.92$479.18$790.65$1,317.75$1,974.73$5,922.92
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