2,3-dibromo-4-butoxy-5-ethoxybenzaldehyde

2,3-dibromo-4-butoxy-5-ethoxybenzaldehyde

CAS: 832674-62-1

Formula: C13H16Br2O3

SMILES: CCCCOC1=C(OCC)C=C(C=O)C(Br)=C1Br

IUPAC: 2,3-dibromo-4-butoxy-5-ethoxybenzaldehyde

InChI: InChI=1S/C13H16Br2O3/c1-3-5-6-18-13-10(17-4-2)7-9(8-16)11(14)12(13)15/h7-8H,3-6H2,1-2H3

Composition: C (41.08%), H (4.24%), Br (42.05%), O (12.63%)

Molar Mass: 380.076

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	377.94662
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FYAZYPXGXNFTLD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.44
Topological Polar Surface Area	35.53
Polarizability	30.44
Ring Count	1
Rotatable Bond Count	7

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