2-bromo-4-butoxy-5-ethoxybenzaldehyde

2-bromo-4-butoxy-5-ethoxybenzaldehyde

CAS: 832674-50-7

Formula: C13H17BrO3

SMILES: CCCCOC1=CC(Br)=C(C=O)C=C1OCC

IUPAC: 2-bromo-4-butoxy-5-ethoxybenzaldehyde

InChI: InChI=1S/C13H17BrO3/c1-3-5-6-17-13-8-11(14)10(9-15)7-12(13)16-4-2/h7-9H,3-6H2,1-2H3

Composition: C (51.84%), H (5.69%), Br (26.53%), O (15.94%)

Molar Mass: 301.18

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	300.036107
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HOBPRODZFPQTIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.81
Topological Polar Surface Area	35.53
Polarizability	27.43
Ring Count	1
Rotatable Bond Count	7

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