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Home > Bromides > 1267428-95-4
1267428-95-4 | Benzoxazole, 7-bromo-2-ethyl-
CAS No: 1267428-95-4 Catalog No: AG000T68 MDL No:MFCD19376426
Product Description
Catalog Number:
AG000T68
Chemical Name:
Benzoxazole, 7-bromo-2-ethyl-
CAS Number:
1267428-95-4
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD19376426
IUPAC Name:
7-bromo-2-ethyl-1,3-benzoxazole
InChI:
InChI=1S/C9H8BrNO/c1-2-8-11-7-5-3-4-6(10)9(7)12-8/h3-5H,2H2,1H3
InChI Key:
LFNISCIEEJVPTJ-UHFFFAOYSA-N
SMILES:
CCc1nc2c(o1)c(Br)ccc2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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