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1-Chloropropan-2-Ol

CAT: 1299-RG-C081521-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-C081521-01Size:10 mg
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CAS Number
127-00-4
Synonyms
1-chloropropan-2-ol
Molecular Formula
C3H7ClO
Molecular Weight
94.54
Target Alternative Name
Propanol
Product Name Synonym
1-chloropropan-2-ol

Chemical Information

1-Chloro-2-propanol

1-chloropropan-2-ol is a secondary alcohol that is isopropanol in which one of the methyl hydrogen atoms is substituted by chlorine. It is a secondary alcohol and an organochlorine compound. It derives from a hydride of a propane.

CAS Number127-00-4
PubChem CID31370
IUPAC Name1-chloropropan-2-ol
Molecular FormulaC3H7ClO
Molecular Weight94.54
XLogP0.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity22
SMILES
CC(CCl)O
InChI
InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKey
YYTSGNJTASLUOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-2-propanol
CAS: 127-00-4
CID: 31370
Formula: C3H7ClO
MW: 94.54
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight94.54
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass94.0185425
Monoisotopic Mass94.0185425
Topological Polar Surface Area20.2 Ų
Heavy Atom Count5
Formal Charge0
Complexity22.9
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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