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Solvent Violet 36 - technical grade

CAT: 0926-FS41490-04Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FS41490-04Size:0.25 kg
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CAS Number
61951-89-1
MDL Number
MFCD00287016
Controlled
No

Chemical Information

1-Bromo-2-propanol

1-bromo-2-propanol is a secondary alcohol that is propan-2-ol substituted by a bromo group at position 1. It has a role as a human metabolite. It is a secondary alcohol and an organobromine compound.

CAS Number61951-89-1
PubChem CID29740
IUPAC Name1-bromopropan-2-ol
Molecular FormulaC3H7BrO
Molecular Weight138.99
XLogP0.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity22
SMILES
CC(CBr)O
InChI
InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKey
WEGOLYBUWCMMMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-2-propanol
CAS: 61951-89-1
CID: 29740
Formula: C3H7BrO
MW: 138.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.99
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass137.96803
Monoisotopic Mass137.96803
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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