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Cyclophosphamide Related Compound B

CAT: 0926-IGA40152Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-IGA40152Size:100 mg
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CAS Number
158401-52-6
MDL Number
MFCD01755255
Smiles
C1CNCCN (P (=O) (OC1) O) CCCl
Molecular Formula
C7H16ClN2O3P
Molecular Weight
242.64 g/mol
Controlled
No

Chemical Information

3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane
CAS Number158401-52-6
PubChem CID3074468
IUPAC Name3-(2-chloroethyl)-2-hydroxy-1,3,6,2lambda5-oxadiazaphosphonane 2-oxide
Molecular FormulaC7H16ClN2O3P
Molecular Weight242.64
XLogP-2.8
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity217
SMILES
C1CNCCN(P(=O)(OC1)O)CCCl
InChI
InChI=1S/C7H16ClN2O3P/c8-2-5-10-6-4-9-3-1-7-13-14(10,11)12/h9H,1-7H2,(H,11,12)
InChIKey
SIMWMEHPUXRDQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane
CAS: 158401-52-6
CID: 3074468
Formula: C7H16ClN2O3P
MW: 242.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.64
XLogP3-2.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass242.0587071
Monoisotopic Mass242.0587071
Topological Polar Surface Area61.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity217
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

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Alternative Products

CatalogName
CS-O-53607Cyclophosphamide Related Compound A
AR-C08676-01Cyclophosphamide Related Compound F
AR-C05213-01Cyclophosphamide Related Compound D
AR-C08988-01Cyclophosphamide Related Compound A HCl
CS-O-53610N-Nitroso Cyclophosphamide USP Related compound D
RM-T260414-01Cyclophosphamide Related Compound A; Trazodone Hydrochloride Impurity N
CS-O-53608N-Nitroso Cyclophosphamide USP Related compound B
AR-C08673-01Cyclophosphamide EP Impurity F HCl (Cyclophosphamide USP Related Compound C HCl
AR-C08666-01N-Nitroso Cyclophosphamide EP Impurity D (N-nitroso Cyclophosphamide USP Related Compound B)
AR-C08669-01N2-Nitroso Cyclophosphamide EP Impurity E (N2-Nitroso Cyclophosphamide USP Related Compound D)

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