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1016506-84-5 | Benzenemethanamine, α-(4-bromophenyl)-3-fluoro-
CAS No: 1016506-84-5 Catalog No: AG00051U MDL No:MFCD09815842
Product Description
Catalog Number:
AG00051U
Chemical Name:
Benzenemethanamine, α-(4-bromophenyl)-3-fluoro-
CAS Number:
1016506-84-5
Molecular Formula:
C13H11BrFN
Molecular Weight:
280.1355
MDL Number:
MFCD09815842
IUPAC Name:
(4-bromophenyl)-(3-fluorophenyl)methanamine
InChI:
InChI=1S/C13H11BrFN/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,13H,16H2
InChI Key:
JZZZTEUUWLTJCJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1cccc(c1)F)N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.006g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.14g/mol
Monoisotopic Mass:
279.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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