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1021076-47-0 | Benzenemethanamine, 5-bromo-2-fluoro-N-phenyl-
CAS No: 1021076-47-0 Catalog No: AG0006MR MDL No:MFCD11138651
Product Description
Catalog Number:
AG0006MR
Chemical Name:
Benzenemethanamine, 5-bromo-2-fluoro-N-phenyl-
CAS Number:
1021076-47-0
Molecular Formula:
C13H11BrFN
Molecular Weight:
280.1355
MDL Number:
MFCD11138651
IUPAC Name:
N-[(5-bromo-2-fluorophenyl)methyl]aniline
InChI:
InChI=1S/C13H11BrFN/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h1-8,16H,9H2
InChI Key:
BDLNTSUYCORZNT-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)CNc1ccccc1)F
Properties
Complexity:
206
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:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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