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1260657-99-5 | Benzenecarboximidic acid, 3-bromo-5-fluoro-, ethyl ester
CAS No: 1260657-99-5 Catalog No: AG000QYS MDL No:
Product Description
Catalog Number:
AG000QYS
Chemical Name:
Benzenecarboximidic acid, 3-bromo-5-fluoro-, ethyl ester
CAS Number:
1260657-99-5
Molecular Formula:
C9H9BrFNO
Molecular Weight:
246.0763
IUPAC Name:
ethyl 3-bromo-5-fluorobenzenecarboximidate
InChI:
InChI=1S/C9H9BrFNO/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,12H,2H2,1H3
InChI Key:
NLBIPWCXIFDIKE-UHFFFAOYSA-N
SMILES:
CCOC(=N)c1cc(F)cc(c1)Br
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.079g/mol
Monoisotopic Mass:
244.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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