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Home > Bromides > 1192018-93-1
1192018-93-1 | Benzoxazole, 5-bromo-2-(4-pyridinyl)-
CAS No: 1192018-93-1 Catalog No: AG000ID9 MDL No:MFCD16468799
Product Description
Catalog Number:
AG000ID9
Chemical Name:
Benzoxazole, 5-bromo-2-(4-pyridinyl)-
CAS Number:
1192018-93-1
Molecular Formula:
C12H7BrN2O
Molecular Weight:
275.1008
MDL Number:
MFCD16468799
IUPAC Name:
5-bromo-2-pyridin-4-yl-1,3-benzoxazole
InChI:
InChI=1S/C12H7BrN2O/c13-9-1-2-11-10(7-9)15-12(16-11)8-3-5-14-6-4-8/h1-7H
InChI Key:
UILQGEMIQDQAOY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nc(o2)c1ccncc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.974g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.105g/mol
Monoisotopic Mass:
273.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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