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Iopromide Impurity 45 HCl

CAT: 1596-AR-I03767-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I03767-01Size:10 Units
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CAS Number
132327-79-8
Molecular Formula
C3H7NO. HCl
Molecular Weight
73.10 36.46
API Name
Iopromide

Chemical Information

Iopromide Impurity 45 HCl
CAS Number132327-79-8
PubChem CID85611112
IUPAC Nameoxiran-2-ylmethanamine;hydrochloride
Molecular FormulaC3H8ClNO
Molecular Weight109.55
Topological Polar Surface Area38.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity37
SMILES
C1C(O1)CN.Cl
InChI
InChI=1S/C3H7NO.ClH/c4-1-3-2-5-3;/h3H,1-2,4H2;1H
InChIKey
JZQGUNMRCOTWIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iopromide Impurity 45 HCl
CAS: 132327-79-8
CID: 85611112
Formula: C3H8ClNO
MW: 109.55
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight109.55
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass109.0294416
Monoisotopic Mass109.0294416
Topological Polar Surface Area38.6 Ų
Heavy Atom Count6
Formal Charge0
Complexity37.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes