Octanoic acid, 2-bromo-

HCID 552003CAS 2623-82-7
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Basic information

Standard SMILES
CCCCCCC(Br)C(=O)O
InChIKey
GTGTXZRPJHDASG-UHFFFAOYSA-N
Molecular formula
C8H15BrO2
Average molar mass
223.11 g/mol

Names & identifiers

Preferred name
Octanoic acid, 2-bromo-
IUPAC
2-bromooctanoic acid

Names & synonyms

Octanoic acid, 2-bromo-2-Bromo-n-octanoic Acid2-BROMOOCTANOICACID2-Bromocaprylic acid70610-87-6MFCD00004219EINECS 220-079-72-bromo-octanoic acid2-Bromooctanoic acid #2-Bromooctanoic acid, 97%SCHEMBL375050alpha-BROMOCAPRYLIC ACID, 90%
Show more names
AKOS015893911Octanoic acid, 2-bromo-, (+/-)-Octanoic acid, 2-bromo-, (A+/-)-BS-43962DB-046905B0627CS-0328199NS00047992

Database identifiers

CAS
2623-82-7
PubChem CID
552003
Nikkaji
J60.921H

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Related reactions

8 records
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Linked notes

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