(R) -Isoflurane

CAT: 0024-sc-489261Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-489261Size:1 mg

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CAS Number

133098-04-1

Chemical Information

Isoflurane, (R)-

CAS Number	133098-04-1
PubChem CID	11095291
IUPAC Name	(2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
Molecular Formula	C3H2ClF5O
Molecular Weight	184.49
XLogP	2.1
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	102

SMILES

[C@@H](C(F)(F)F)(OC(F)F)Cl

InChI

InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m0/s1

InChIKey

PIWKPBJCKXDKJR-SFOWXEAESA-N

Chemical Structure

2D Structure

CAS: 133098-04-1

CID: 11095291

Formula: C3H2ClF5O

MW: 184.49

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.49
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	183.9714332
Monoisotopic Mass	183.9714332
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	102
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-470926	Isoflurane
sc-470926A	Isoflurane
sc-481137	(R, R, R) -Aprepitant
sc-487379	(R, R, R) -Triglycidyl Isocyanurate
sc-215831A	(S, R, R, R) -Orlistat
sc-215831	(S, R, R, R) -Orlistat
sc-215831B	(S, R, R, R) -Orlistat
sc-215831D	(S, R, R, R) -Orlistat
sc-215831C	(S, R, R, R) -Orlistat
sc-204224A	(R, R) -THC