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6-bromohexanoic acid

6-bromohexanoic acid

CAS: 4224-70-8

Formula: C6H11BrO2

SMILES: OC(=O)CCCCCBr

IUPAC: 6-bromohexanoic acid

InChI: InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)

Composition: C (36.95%), H (5.68%), Br (40.96%), O (16.40%)

Molar Mass: 195.056

Atom Count: 20

Heavy Atom Count: 9

Properties
Properties
Common Names 6-bromo-n-caproic acid
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 193.994243
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NVRVNSHHLPQGCU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.04
Topological Polar Surface Area 37.3
Polarizability 15.2
Ring Count 0
Rotatable Bond Count 5

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