C(CCCC(=O)O)CCCBr
CAS: 17696-11-6
Name: 8-bromooctanoic acid
SMILES: C(CCCC(=O)O)CCCBr

Molecular Processing

Molecular formula
C8H15BrO2
Molecular weight
223.11
Exact mass
222.0255
XLogP
2.81
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
7
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
49.13

Supplementary Information

InChIKey: BKJFDZSBZWHRNH-UHFFFAOYSA-N
Synonyme
8-Bromooctanoic acid17696-11-6Octanoic acid, 8-bromo-DTXSID40338314RefChem:106975DTXCID10289400605-788-5BKJFDZSBZWHRNH-UHFFFAOYSA-N8-Bromocaprylic acidMFCD00004430BR10998-bromo octanoic acid8-Bromooctanoicacid8-bromo-octanoic acid8-Bromooctanoic acid, 97%SCHEMBL329076AKOS015836155CS-W007700FB19274HY-W007700AC-16341AS-12133BP-31087DB-044278B1675NS00120420EN300-85284SH6
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