4-bromo-2-fluoro-5-propoxyaniline

4-bromo-2-fluoro-5-propoxyaniline

CAS: 84478-69-3

Formula: C9H11BrFNO

SMILES: CCCOC1=CC(N)=C(F)C=C1Br

IUPAC: 4-bromo-2-fluoro-5-propoxyaniline

InChI: InChI=1S/C9H11BrFNO/c1-2-3-13-9-5-8(12)7(11)4-6(9)10/h4-5H,2-3,12H2,1H3

Composition: C (43.57%), H (4.47%), Br (32.21%), F (7.66%), N (5.65%), O (6.45%)

Molar Mass: 248.095

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.000805
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HRPOAZFNWXINHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.33
Topological Polar Surface Area	35.25
Polarizability	20.28
Ring Count	1
Rotatable Bond Count	3

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