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3-(difluoromethoxy)-4-hydroxybenzaldehyde

3-(difluoromethoxy)-4-hydroxybenzaldehyde

CAS: 53173-70-9

Formula: C8H6F2O3

SMILES: OC1=C(OC(F)F)C=C(C=O)C=C1

IUPAC: 3-(difluoromethoxy)-4-hydroxybenzaldehyde

InChI: InChI=1S/C8H6F2O3/c9-8(10)13-7-3-5(4-11)1-2-6(7)12/h1-4,8,12H

Composition: C (51.08%), H (3.21%), F (20.20%), O (25.51%)

Molar Mass: 188.13

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 188.028500379
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BQWJKJOZIXNRID-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.09
Topological Polar Surface Area 46.53
Polarizability 15.04
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 53173-70-9 $590.00-$1,200.00$590.00$1,200.00
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LabNetwork INC
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