C1=CC(=CC=C1CC=O)Br
CAS: 27200-79-9
Name: 2-(4-bromophenyl)acetaldehyde
SMILES: C1=CC(=CC=C1CC=O)Br

Molecular Processing

Molecular formula
C8H7BrO
Molecular weight
199.05
Exact mass
197.968
XLogP
2.19
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
43.91

Supplementary Information

InChIKey: RFBONBFMRTWGGB-UHFFFAOYSA-N
Synonyme
2-(4-bromophenyl)acetaldehydeRefChem:457103892-384-9(4-bromophenyl)acetaldehyde27200-79-9(4-BROMO-PHENYL)-ACETALDEHYDE4-BromophenylacetaldehydeMFCD02261728Benzeneacetaldehyde, 4-bromo-2-(4-bromophenyl)ethanalSCHEMBL20103SCHEMBL37360252-(4-bromophenyl)-acetaldehydeSCHEMBL27468038DTXSID00453431RFBONBFMRTWGGB-UHFFFAOYSA-NSBB052205AKOS010077824AB11790CS-W019773AC-25620DS-10540SY110273EN300-96211F065184Z1079442512
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