4-[(4-bromo-3-fluorophenyl)methyl]morpholine

4-[(4-bromo-3-fluorophenyl)methyl]morpholine

CAS: 897016-96-5

Formula: C11H13BrFNO

SMILES: FC1=C(Br)C=CC(CN2CCOCC2)=C1

IUPAC: 4-[(4-bromo-3-fluorophenyl)methyl]morpholine

InChI: InChI=1S/C11H13BrFNO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2

Composition: C (48.20%), H (4.78%), Br (29.15%), F (6.93%), N (5.11%), O (5.84%)

Molar Mass: 274.133

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	273.016455
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AXLRZCPFGFYXIS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.51
Topological Polar Surface Area	12.47
Polarizability	23.56
Ring Count	2
Rotatable Bond Count	2

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