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101085-25-0 | Oxazole, 5-bromo-4-(bromomethyl)-2-phenyl-
CAS No: 101085-25-0 Catalog No: AG0003Q9 MDL No:
Product Description
Catalog Number:
AG0003Q9
Chemical Name:
Oxazole, 5-bromo-4-(bromomethyl)-2-phenyl-
CAS Number:
101085-25-0
Molecular Formula:
C10H7Br2NO
Molecular Weight:
316.9767
IUPAC Name:
5-bromo-4-(bromomethyl)-2-phenyl-1,3-oxazole
InChI:
InChI=1S/C10H7Br2NO/c11-6-8-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
DUPYWIOQNFWBMA-UHFFFAOYSA-N
SMILES:
BrCc1nc(oc1Br)c1ccccc1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.887g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.98g/mol
Monoisotopic Mass:
314.889g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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