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7-bromo-9,9-dimethylfluorene-2-carbaldehyde

7-bromo-9,9-dimethylfluorene-2-carbaldehyde

CAS: 944940-90-3

Formula: C16H13BrO

SMILES: CC1(C)C2=C(C=CC(Br)=C2)C2=C1C=C(C=O)C=C2

IUPAC: 7-bromo-9,9-dimethyl-9H-fluorene-2-carbaldehyde

InChI: InChI=1S/C16H13BrO/c1-16(2)14-7-10(9-18)3-5-12(14)13-6-4-11(17)8-15(13)16/h3-9H,1-2H3

Composition: C (63.81%), H (4.35%), Br (26.53%), O (5.31%)

Molar Mass: 301.183

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 300.014978
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RFGCRRLPPVRIQF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.6
Topological Polar Surface Area 17.07
Polarizability 30.53
Ring Count 3
Rotatable Bond Count 1

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