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13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

CAS: 155613-52-8

Formula: C20H12ClO2P

SMILES: ClP1OC2=C(C3=CC=CC=C3C=C2)C2=C(O1)C=CC1=CC=CC=C21

IUPAC: 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

InChI: InChI=1S/C20H12ClO2P/c21-24-22-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)23-24/h1-12H

Composition: C (68.49%), H (3.45%), Cl (10.11%), O (9.12%), P (8.83%)

Molar Mass: 350.74

Atom Count: 36

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 350.0263443
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OVSINNBCLPSKAZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 98.6
Topological Polar Surface Area 18.46
Polarizability 41.59
Ring Count 5
Rotatable Bond Count 0

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Purity LeadTime CAS UnitPrice
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