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pentachloro(1,2,3,4,5,6-¹³C?)phenol

pentachloro(1,2,3,4,5,6-¹³C?)phenol

CAS: 85380-74-1

Formula: C6HCl5O

SMILES: O[13C]1=[13C](Cl)[13C](Cl)=[13C](Cl)[13C](Cl)=[13C]1Cl

IUPAC: pentachloro(1,2,3,4,5,6-¹³C?)phenol

InChI: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/i1+1,2+1,3+1,4+1,5+1,6+1

Composition: [13C] (28.65%), H (0.37%), Cl (65.10%), O (5.88%)

Molar Mass: 272.28

Atom Count: 13

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.8671322
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey IZUPBVBPLAPZRR-IDEBNGHGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.06
Topological Polar Surface Area 20.23
Polarizability 20.81
Ring Count 1
Rotatable Bond Count 0

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