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2-bromo-3- (hydroxymethyl) phenol

CAT: 0127-OR1096642Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1260761-47-4
MDL Number
MFCD10000911
Smiles
C1ccc (c (c1CO) Br) O

Chemical Information

2-Bromo-3-(hydroxymethyl)phenol
CAS Number1260761-47-4
PubChem CID57018276
IUPAC Name2-bromo-3-(hydroxymethyl)phenol
Molecular FormulaC7H7BrO2
Molecular Weight203.03
XLogP1.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
C1=CC(=C(C(=C1)O)Br)CO
InChI
InChI=1S/C7H7BrO2/c8-7-5(4-9)2-1-3-6(7)10/h1-3,9-10H,4H2
InChIKey
ZLSHFFBCOUQVFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-3-(hydroxymethyl)phenol
CAS: 1260761-47-4
CID: 57018276
Formula: C7H7BrO2
MW: 203.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.03
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass201.96294
Monoisotopic Mass201.96294
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
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

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