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Home > Bromides > 1016721-80-4
1016721-80-4 | Benzeneethanimidamide, 2-bromo-4-fluoro-
CAS No: 1016721-80-4 Catalog No: AG00056H MDL No:
Product Description
Catalog Number:
AG00056H
Chemical Name:
Benzeneethanimidamide, 2-bromo-4-fluoro-
CAS Number:
1016721-80-4
Molecular Formula:
C8H8BrFN2
Molecular Weight:
231.0649
IUPAC Name:
2-(2-bromo-4-fluorophenyl)ethanimidamide
InChI:
InChI=1S/C8H8BrFN2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H3,11,12)
InChI Key:
BBVLBFBQYBXLJS-UHFFFAOYSA-N
SMILES:
NC(=N)Cc1ccc(cc1Br)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.068g/mol
Monoisotopic Mass:
229.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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