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28989-17-5 | Benzoxazole, 2-(tribromomethyl)-
CAS No: 28989-17-5 Catalog No: AG002V42 MDL No:
Product Description
Catalog Number:
AG002V42
Chemical Name:
Benzoxazole, 2-(tribromomethyl)-
CAS Number:
28989-17-5
Molecular Formula:
C8H4Br3NO
Molecular Weight:
369.8355
IUPAC Name:
2-(tribromomethyl)-1,3-benzoxazole
InChI:
InChI=1S/C8H4Br3NO/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
InChI Key:
HVCLNNAPJQXRJE-UHFFFAOYSA-N
SMILES:
BrC(c1nc2c(o1)cccc2)(Br)Br
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.782g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.838g/mol
Monoisotopic Mass:
366.784g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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