CCOC(=O)C1=CC=CC=C1Br
CAS: 6091-64-1
Name: ethyl 2-bromobenzoate
SMILES: CCOC(=O)C1=CC=CC=C1Br

Molecular Processing

Molecular formula
C9H9BrO2
Molecular weight
229.07
Exact mass
227.9786
XLogP
2.63
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
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
50.1

Supplementary Information

InChIKey: BIHHBTVQFPVSTE-UHFFFAOYSA-N
Synonyme
Ethyl 2-bromobenzoate6091-64-1Benzoic acid, 2-bromo-, ethyl esterEINECS 228-034-32-Bromobezoic acid, ethyl esterDTXSID80209751NSC 10122RefChem:138574DTXCID30132242228-034-3BIHHBTVQFPVSTE-UHFFFAOYSA-N2-Bromobenzoic Acid Ethyl EsterMFCD00015443ethyl o-bromobenzoate2-bromo-benzoic acid ethyl esterNSC-10122ethyl-2-bromobenzoateethyl bromobenzoateNSC10122BrombenzoesaureathylesterEthyl 2-bromobenzoate, 98%SCHEMBL408906L9R5D34BM7SCHEMBL279999352-Bromobenzoic acid, ethyl esterSBB065109AKOS008948012AS-10646SY004041B1514
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