2-[(E)-3-chloro-2-methylprop-1-enyl]-1,3,2-dioxaborolane

Formula:C6H10O2BCl Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[(E)-3-chloro-2-methylprop-1-enyl]-1,3,2-dioxaborolane is a drug-like molecule.

MolName	2-[(E)-3-chloro-2-methylprop-1-enyl]-1,3,2-dioxaborolane
MolecularFormula	C6H10O2BCl
Smiles	C/C(/CCl)=C\B1OCCO1
InChI	InChI=1S/C6H10BClO2/c1-6(5-8)4-7-9-2-3-10-7/h4H,2-3,5H2,1H3
InChIK	KILQBJKYEYGIGN-UHFFFAOYSA-N
TotalMolweight	160.407
Molweight	160.407
MonoisotopicMass	160.046237
CLogP	1.11
CLogS	-0.21
H Acceptors	2
TotalSurfaceArea	128.27
Relative PSA	0.15592
PolarSurfaceArea	18.46
Druglikeness	-17.196
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	allyl/benzyl chloride; unwanted atom
Shape Index	0.7
Fragments	1
Non HAtoms	10
NonCHAtoms	4
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	1
Small Rings	1
Sp3Atoms	6
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - 2-[(E)-3-chloro-2-methylprop-1-enyl]-1,3,2-dioxaborolane | 2 - 2-[(E)-3-chloro-2-methylprop-1-enyl]-1,3,2-dioxaborolane

Request More Details | 2-[(E)-3-chloro-2-methylprop-1-enyl]-1,3,2-dioxaborolane

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments