2,3-dibromo-5-ethoxy-4-propoxybenzaldehyde

2,3-dibromo-5-ethoxy-4-propoxybenzaldehyde

CAS: 832674-11-0

Formula: C12H14Br2O3

SMILES: CCCOC1=C(OCC)C=C(C=O)C(Br)=C1Br

IUPAC: 2,3-dibromo-5-ethoxy-4-propoxybenzaldehyde

InChI: InChI=1S/C12H14Br2O3/c1-3-5-17-12-9(16-4-2)6-8(7-15)10(13)11(12)14/h6-7H,3-5H2,1-2H3

Composition: C (39.38%), H (3.86%), Br (43.66%), O (13.11%)

Molar Mass: 366.049

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	363.93097
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PSIIWLYZHXBAEW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.84
Topological Polar Surface Area	35.53
Polarizability	28.65
Ring Count	1
Rotatable Bond Count	6

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