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4-bromo-5-[(4-methylphenyl)sulfanyl]furan-2-carbaldehyde

4-bromo-5-[(4-methylphenyl)sulfanyl]furan-2-carbaldehyde

CAS: 597545-05-6

Formula: C12H9BrO2S

SMILES: CC1=CC=C(SC2=C(Br)C=C(O2)C=O)C=C1

IUPAC: 4-bromo-5-[(4-methylphenyl)sulfanyl]furan-2-carbaldehyde

InChI: InChI=1S/C12H9BrO2S/c1-8-2-4-10(5-3-8)16-12-11(13)6-9(7-14)15-12/h2-7H,1H3

Composition: C (48.50%), H (3.05%), Br (26.89%), O (10.77%), S (10.79%)

Molar Mass: 297.17

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 295.950664
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DISPPBMPQGHDDM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.63
Topological Polar Surface Area 30.21
Polarizability 26.32
Ring Count 2
Rotatable Bond Count 3

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