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133130-86-6 | Oxazole, 4-(bromomethyl)-2,5-diphenyl-
CAS No: 133130-86-6 Catalog No: AG0014B3 MDL No:
Product Description
Catalog Number:
AG0014B3
Chemical Name:
Oxazole, 4-(bromomethyl)-2,5-diphenyl-
CAS Number:
133130-86-6
Molecular Formula:
C16H12BrNO
Molecular Weight:
314.1766
IUPAC Name:
4-(bromomethyl)-2,5-diphenyl-1,3-oxazole
InChI:
InChI=1S/C16H12BrNO/c17-11-14-15(12-7-3-1-4-8-12)19-16(18-14)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:
QJIDJLVBNDSDRA-UHFFFAOYSA-N
SMILES:
BrCc1nc(oc1c1ccccc1)c1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.01g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.182g/mol
Monoisotopic Mass:
313.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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