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3-Chloro-1,2-Propanediol

CAT: 1299-RG-C031600-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-C031600-01Size:10 mg
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CAS Number
96-24-2
Synonyms
3-chloropropane-1,2-diol
Molecular Formula
C3H7ClO2
Molecular Weight
110.54
Target Alternative Name
Propafenone
Product Name Synonym
3-chloropropane-1,2-diol

Chemical Information

3-Chloro-1,2-propanediol

3-Monochloropropane-1,2-diol (3-MCPD) can cause cancer according to an independent committee of scientific and health experts.

CAS Number96-24-2
PubChem CID7290
IUPAC Name3-chloropropane-1,2-diol
Molecular FormulaC3H7ClO2
Molecular Weight110.54
XLogP-0.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity32
SMILES
C(C(CCl)O)O
InChI
InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
InChIKey
SSZWWUDQMAHNAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-1,2-propanediol
CAS: 96-24-2
CID: 7290
Formula: C3H7ClO2
MW: 110.54
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.54
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass110.0134572
Monoisotopic Mass110.0134572
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity32
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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0066243-Chloro-1,2-propanediol
TRC-C379690-25MG2-Chloro-1,3-Propanediol
sc-238512(±) -3-Chloro-1,2-propanediol
463544-01(R) - (-) -3-Chloro-1,2-propanediol
416536-012-Chloro-1,3-propanediol-d5
TRC-C379712-10MG3-Chloro-1,2-propanediol-d5
OR315175-01(S) - (+) -3-Chloro-1,2-propanediol
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