C(C=O)Br
CAS: 17157-48-1
Name: 2-bromoacetaldehyde
SMILES: C(C=O)Br

Molecular Processing

Molecular formula
C2H3BrO
Molecular weight
122.95
Exact mass
121.9367
XLogP
0.58
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
4
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
19.86

Supplementary Information

InChIKey: NMPVEAUIHMEAQP-UHFFFAOYSA-N
Synonyme
Bromoacetaldehyde17157-48-1Acetaldehyde, bromo-TGB3VXQ7JVDTXSID1020196RefChem:121530DTXCID701962-BromoacetaldehydeMonobromoacetaldehydeBRN 0969223bromoacetaldehye2-bromo-ethanone2-bromo-acetaldehydealpha-BromoacetaldehydeUNII-TGB3VXQ7JVSCHEMBL94904-01-00-03151 (Beilstein Handbook Reference)SCHEMBL102758SCHEMBL3768727SCHEMBL6763962SCHEMBL10703013CHEBI:34263NMPVEAUIHMEAQP-UHFFFAOYSA-NAKOS006279610DB-369907NS00115996EN300-78793H37762F866455Q27115951
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