1-(3-bromoadamantan-1-yl)propan-2-one

1-(3-bromoadamantan-1-yl)propan-2-one

CAS: 727416-54-8

Formula: C13H19BrO

SMILES: CC(=O)CC12CC3CC(CC(Br)(C3)C1)C2

IUPAC: 1-(3-bromoadamantan-1-yl)propan-2-one

InChI: InChI=1/C13H19BrO/c1-9(15)3-12-4-10-2-11(5-12)7-13(14,6-10)8-12/h10-11H,2-8H2,1H3

Composition: C (57.58%), H (7.06%), Br (29.46%), O (5.90%)

Molar Mass: 271.198

Atom Count: 34

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	270.061928
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GWDZCKKSXFQQAV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.21
Topological Polar Surface Area	17.07
Polarizability	25.23
Ring Count	3
Rotatable Bond Count	2

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