C1=CC=C(C=C1)C(=O)OCCBr
CAS: 939-54-8
Name: 2-bromoethyl benzoate
SMILES: C1=CC=C(C=C1)C(=O)OCCBr

Molecular Processing

Molecular formula
C9H9BrO2
Molecular weight
229.07
Exact mass
227.9786
XLogP
2.24
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.52

Supplementary Information

InChIKey: KNBBDZULQFKSIE-UHFFFAOYSA-N
Synonyms
2-Bromoethyl benzoate939-54-8Benzoic acid 2-bromoethyl esterKNBBDZULQFKSIE-UHFFFAOYSA-DTXSID30335150RefChem:85867DTXCID30286239628-389-8InChI=1/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2KNBBDZULQFKSIE-UHFFFAOYSA-N2-bromoethylbenzoateMFCD00059462beta-Bromoethyl benzoate2-Bromoethyl Benzoate (~90%)Bromoethyl Benzoate72PB6FLV4E2-Bromoethyl benzoate, 98%SCHEMBL561869Ethanol, 2-bromo-, 1-benzoateAKOS005203196BS-22296SY052379B0065CS-0156543A11417F241241
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Involved in 37 reactions→

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