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69918-19-0 | 5-BROMO-2-PHENYL-1,3-BENZOXAZOLE
CAS No: 69918-19-0 Catalog No: AG005H1T MDL No:MFCD09055181
Product Description
Catalog Number:
AG005H1T
Chemical Name:
5-BROMO-2-PHENYL-1,3-BENZOXAZOLE
CAS Number:
69918-19-0
Molecular Formula:
C13H8BrNO
Molecular Weight:
274.1127
MDL Number:
MFCD09055181
IUPAC Name:
5-bromo-2-phenyl-1,3-benzoxazole
InChI:
InChI=1S/C13H8BrNO/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H
InChI Key:
WOTNVYMPQOWYSY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nc(o2)c1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.117g/mol
Monoisotopic Mass:
272.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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