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2-(methoxycarbonyl)-5-(trifluoromethoxy)phenylboronic acid

2-(methoxycarbonyl)-5-(trifluoromethoxy)phenylboronic acid

CAS: 1217500-75-8

Formula: C9H8BF3O5

SMILES: COC(=O)C1=CC=C(OC(F)(F)F)C=C1B(O)O

IUPAC: [2-(methoxycarbonyl)-5-(trifluoromethoxy)phenyl]boronic acid

InChI: InChI=1S/C9H8BF3O5/c1-17-8(14)6-3-2-5(18-9(11,12)13)4-7(6)10(15)16/h2-4,15-16H,1H3

Composition: C (40.95%), H (3.05%), B (4.10%), F (21.59%), O (30.31%)

Molar Mass: 263.96

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 264.041688
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZABYKLZZNFPGSV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.7
Topological Polar Surface Area 75.99
Polarizability 20.13
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1217500-75-8 $491.05-$898.15$491.05$898.15
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