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8-chloro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

8-chloro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

CAS: 851814-20-5

Formula: C9H7ClO4

SMILES: OC(=O)C1=CC2=C(OCCO2)C(Cl)=C1

IUPAC: 8-chloro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

InChI: InChI=1S/C9H7ClO4/c10-6-3-5(9(11)12)4-7-8(6)14-2-1-13-7/h3-4H,1-2H2,(H,11,12)

Composition: C (50.37%), H (3.29%), Cl (16.52%), O (29.82%)

Molar Mass: 214.6

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 214.0032864
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QXSSNLARLMWPIB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.08
Topological Polar Surface Area 55.76
Polarizability 19.01
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 851814-20-5 $121.06-$566.19$121.06$204.28$566.19
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