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4-Bromo-2-methoxybiphenyl

CAT: 0572-TRC-B687555-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687555-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
227305-07-9
Synonyms
4-Bromo-2-methoxy-1,1'-biphenyl; 4-Bromo-2-methoxybiphenyl
Hazard Statement
No Data Available
Smiles
COC1=CC(Br)=CC=C1C2=CC=CC=C2
Molecular Formula
C13H11BrO
Molecular Weight
263.13
InChI
InChI=1S/C13H11BrO/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3
Additionnal Information
IUPAC name: 4-bromo-2-methoxy-1,1'-biphenyl
Shipping Conditions
Room Temperature

Chemical Information

4-Bromo-2-methoxybiphenyl
CAS Number227305-07-9
PubChem CID18379655
IUPAC Name4-bromo-2-methoxy-1-phenylbenzene
Molecular FormulaC13H11BrO
Molecular Weight263.13
XLogP4.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity189
SMILES
COC1=C(C=CC(=C1)Br)C2=CC=CC=C2
InChI
InChI=1S/C13H11BrO/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
ZREIJSSRWLYNDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-methoxybiphenyl
CAS: 227305-07-9
CID: 18379655
Formula: C13H11BrO
MW: 263.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.13
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass261.99933
Monoisotopic Mass261.99933
Topological Polar Surface Area9.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity189
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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