CC1=CC=C(S1)C2=CC(OC3=C2C=C(C=C3)Br)(C)C
Nombre: 6-bromo-2,2-dimethyl-4-(5-methylthiophen-2-yl)chromene
SMILES: CC1=CC=C(S1)C2=CC(OC3=C2C=C(C=C3)Br)(C)C

Molecular Processing

Molecular formula
C16H15BrOS
Molecular weight
335.27
Exact mass
334.0027
XLogP
5.42
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
84.98

Supplementary Information

InChIKey: VIWLBMGNAODLSX-UHFFFAOYSA-N
Sinónimos
VIWLBMGNAODLSX-UHFFFAOYSA-N2,2-Dimethyl-4(5-methyl-thien-2-yl)-6-bromo-chrom-3-ene
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