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2-Bromo-3-methylphenol

CAT: 0572-TRC-B697415-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B697415-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22061-78-5
Synonyms
NSC 100895
Hazard Statement
Harmful if swallowed.
Smiles
BrC1=C(C)C=CC=C1O
Molecular Formula
C7H7BrO
Molecular Weight
187.03
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

2-Bromo-3-methylphenol
CAS Number22061-78-5
PubChem CID265090
IUPAC Name2-bromo-3-methylphenol
Molecular FormulaC7H7BrO
Molecular Weight187.03
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=C(C(=CC=C1)O)Br
InChI
InChI=1S/C7H7BrO/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,1H3
InChIKey
HUGNLEZLTOVJLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-3-methylphenol
CAS: 22061-78-5
CID: 265090
Formula: C7H7BrO
MW: 187.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.03
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass185.96803
Monoisotopic Mass185.96803
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
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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