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1016507-27-9 | 5-Benzoxazolamine, 2-(2-bromo-5-fluorophenyl)-
CAS No: 1016507-27-9 Catalog No: AG00051T MDL No:MFCD09929466
Product Description
Catalog Number:
AG00051T
Chemical Name:
5-Benzoxazolamine, 2-(2-bromo-5-fluorophenyl)-
CAS Number:
1016507-27-9
Molecular Formula:
C13H8BrFN2O
Molecular Weight:
307.1178
MDL Number:
MFCD09929466
IUPAC Name:
2-(2-bromo-5-fluorophenyl)-1,3-benzoxazol-5-amine
InChI:
InChI=1S/C13H8BrFN2O/c14-10-3-1-7(15)5-9(10)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
InChI Key:
YSPVGBUPECVFLV-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc(o2)c1cc(F)ccc1Br
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.98g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.122g/mol
Monoisotopic Mass:
305.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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