2,2-dichloroadamantane-1-carboxylic acid

2,2-dichloroadamantane-1-carboxylic acid

CAS: 62662-68-4

Formula: C11H14Cl2O2

SMILES: OC(=O)C12CC3CC(CC(C3)C1(Cl)Cl)C2

IUPAC: 2,2-dichloroadamantane-1-carboxylic acid

InChI: InChI=1/C11H14Cl2O2/c12-11(13)8-2-6-1-7(3-8)5-10(11,4-6)9(14)15/h6-8H,1-5H2,(H,14,15)

Composition: C (53.03%), H (5.66%), Cl (28.46%), O (12.84%)

Molar Mass: 249.13

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	248.0370851
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HODYQNUUJXHMOR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.42
Topological Polar Surface Area	37.3
Polarizability	23.1
Ring Count	3
Rotatable Bond Count	1

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