2-(4-Bromo-phenyl)-benzooxazole

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Catalog Number
ACM3164134
Product Name
2-(4-Bromo-phenyl)-benzooxazole
Structure
Structure
CAS
3164-13-4
Category
Heterocyclic Organic Compound
IUPAC Name
2-(4-bromophenyl)-1,3-benzoxazole
Molecular Weight
274.1163
Molecular Formula
C13H8BrNO
Canonical SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C13H8BrNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChI Key
RBVHJNZMSBQFDK-UHFFFAOYSA-N
Complexity
240
Covalently-Bonded Unit Count
1
Exact Mass
272.97893g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
16
MDL Number
MFCD00168898
Monoisotopic Mass
272.97893g/mol
Rotatable Bond Count
1
Size
1g,5g,25g
XLogP3
4.1
MSDS
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COA
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Spec Sheet
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