3-bromo-2-fluoro-6-methoxybenzaldehyde

3-bromo-2-fluoro-6-methoxybenzaldehyde

CAS: 1160653-94-0

Formula: C8H6BrFO2

SMILES: COC1=CC=C(Br)C(F)=C1C=O

IUPAC: 3-bromo-2-fluoro-6-methoxybenzaldehyde

InChI: InChI=1S/C8H6BrFO2/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4H,1H3

Composition: C (41.23%), H (2.60%), Br (34.29%), F (8.15%), O (13.73%)

Molar Mass: 233.036

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.953521
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZFSQBXCQHSTLJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.94
Topological Polar Surface Area	26.3
Polarizability	17.49
Ring Count	1
Rotatable Bond Count	2

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