CC1(CC(OC2=C(C=C(C=C21)Br)C=O)(C)C)C
CAS: 345964-32-1
Name: 6-bromo-2,2,4,4-tetramethyl-3H-chromene-8-carbaldehyde
SMILES: CC1(CC(OC2=C(C=C(C=C21)Br)C=O)(C)C)C

Molecular Processing

Molecular formula
C14H17BrO2
Molecular weight
297.19
Exact mass
296.0412
XLogP
4.1
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
71.88

Supplementary Information

InChIKey: SZKQWSXLUGDACW-UHFFFAOYSA-N
Synonyme
345964-32-1SCHEMBL4520704SZKQWSXLUGDACW-UHFFFAOYSA-NDA-426856-bromo-2,2,4,4-tetramethyl chroman-8-carbaldehyde6-Bromo-2,2,4,4-tetramethyl-chroman-8-carbaldehyde
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