1-Bromo-2-fluorobenzene

Cat. No.: PI1072851

Product Details Other Identifiers Computed Properties

CAS	1072-85-1
Purity	98%
Molecular Formula	C6H4BrF
Molecular Weight	175.00
Molar Refractivity	34.1

Pubchem ID	61259
InChI Key	IPWBFGUBXWMIPR-UHFFFAOYSA-N
MDL Number	MFCD00000282

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	0
Topological Polar Surface Area	0.0 Å²
Heavy Atom Count	8
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	2.04
Log Po/w (XLOGP3)	2.71
Log Po/w (WLOGP)	3.01
Log Po/w (MLOGP)	3.48
Log Po/w (SILICOS-IT)	3.0
Consensus Log Po/w	2.85
GI Absorption	Low
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.44 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.33

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