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2-bromooctanoic acid

2-bromooctanoic acid

CAS: 2623-82-7

Formula: C8H15BrO2

SMILES: CCCCCCC(Br)C(O)=O

IUPAC: 2-bromooctanoic acid

InChI: InChI=1/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)

Composition: C (43.07%), H (6.78%), Br (35.81%), O (14.34%)

Molar Mass: 223.11

Atom Count: 26

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 222.025543
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GTGTXZRPJHDASG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.8
Topological Polar Surface Area 37.3
Polarizability 18.79
Ring Count 0
Rotatable Bond Count 6

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