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2- (3-bromo-4-fluorophenyl) propan-2-ol

CAT: 0127-PC1010717-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1010717-01Size:250 mg
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CAS Number
1364703-48-9
Purity
95%
Smiles
C1 (ccc (c (c1) Br) F) C (C) (O) C

Chemical Information

2-(3-Bromo-4-fluorophenyl)propan-2-ol
CAS Number1364703-48-9
PubChem CID20785397
IUPAC Name2-(3-bromo-4-fluorophenyl)propan-2-ol
Molecular FormulaC9H10BrFO
Molecular Weight233.08
XLogP2.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity161
SMILES
CC(C)(C1=CC(=C(C=C1)F)Br)O
InChI
InChI=1S/C9H10BrFO/c1-9(2,12)6-3-4-8(11)7(10)5-6/h3-5,12H,1-2H3
InChIKey
DIKPEMSBHKZROG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Bromo-4-fluorophenyl)propan-2-ol
CAS: 1364703-48-9
CID: 20785397
Formula: C9H10BrFO
MW: 233.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.08
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass231.98991
Monoisotopic Mass231.98991
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity161
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