Products for Research Use Only
RegisterLogin

Fosaprepitant Impurity R

CAT: 1299-RM-F191618-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-F191618-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
252742-72-6
Synonyms
3- (chloromethyl) -1H-1,2,4-triazol-5 (4H) -one
Molecular Formula
C3H4ClN3O
Molecular Weight
133.54
Target Alternative Name
Fosaprepitant
Product Name Synonym
3- (chloromethyl) -1H-1,2,4-triazol-5 (4H) -one

Chemical Information

3H-1,2,4-Triazol-3-one, 5-(chloromethyl)-1,2-dihydro-
CAS Number252742-72-6
PubChem CID135546685
IUPAC Name3-(chloromethyl)-1,4-dihydro-1,2,4-triazol-5-one
Molecular FormulaC3H4ClN3O
Molecular Weight133.54
XLogP-0.2
Topological Polar Surface Area53.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity143
SMILES
C(C1=NNC(=O)N1)Cl
InChI
InChI=1S/C3H4ClN3O/c4-1-2-5-3(8)7-6-2/h1H2,(H2,5,6,7,8)
InChIKey
ZLRBJVJEQXBAAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3H-1,2,4-Triazol-3-one, 5-(chloromethyl)-1,2-dihydro-
CAS: 252742-72-6
CID: 135546685
Formula: C3H4ClN3O
MW: 133.54
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.54
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass133.0042895
Monoisotopic Mass133.0042895
Topological Polar Surface Area53.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-F191601-01Fosaprepitant Impurity A
RM-F191657-01Fosaprepitant Impurity 34
RM-F191654-01Fosaprepitant Impurity 31
RG-A262150-01Fosaprepitant Impurity 29
RG-A262149-01Fosaprepitant Impurity 28
RM-F191658-01Fosaprepitant Impurity 35
RM-F191647-01Fosaprepitant Impurity 21
RM-F191648-01Fosaprepitant Impurity 23
RM-F191638-01Fosaprepitant Impurity 12
RM-F191623-01Fosaprepitant Impurity W

Alternative Products

CatalogName
AR-F10877-01Fosaprepitant Impurity 33
AR-F10869-01Fosaprepitant Impurity 54
AR-F10871-01Fosaprepitant Impurity 56
AR-F10867-01Fosaprepitant Impurity 52
AR-F10863-01Fosaprepitant Impurity 48
AR-F10856-01Fosaprepitant Impurity 40
AR-F10852-01Fosaprepitant Impurity 34
AR-F10850-01Fosaprepitant Impurity 21
AR-A02409-01Fosaprepitant Dibenzylphosphonate Impurity
AR-A02374-01Fosaprepitant Impurity 10

Popular Products