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2-(bromomethyl)benzaldehyde

2-(bromomethyl)benzaldehyde

CAS: 60633-91-2

Formula: C8H7BrO

SMILES: BrCC1=CC=CC=C1C=O

IUPAC: 2-(bromomethyl)benzaldehyde

InChI: InChI=1S/C8H7BrO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H,5H2

Composition: C (48.27%), H (3.54%), Br (40.14%), O (8.04%)

Molar Mass: 199.047

Atom Count: 17

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.968028
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey PVIVWSKQVHYIEI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.49
Topological Polar Surface Area 17.07
Polarizability 16.77
Ring Count 1
Rotatable Bond Count 2

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97% <7 Days 60633-91-2 $511.45-$1,367.91$511.45$682.55$1,367.91
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96% <2 Days 60633-91-2 $227.70-$4,597.70$227.70$342.70$457.70$687.70$1,147.70$4,597.70
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