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1019558-55-4 | Benzenemethanamine, 5-bromo-2-fluoro-N-(phenylmethyl)-
CAS No: 1019558-55-4 Catalog No: AG00062B MDL No:MFCD11140720
Product Description
Catalog Number:
AG00062B
Chemical Name:
Benzenemethanamine, 5-bromo-2-fluoro-N-(phenylmethyl)-
CAS Number:
1019558-55-4
Molecular Formula:
C14H13BrFN
Molecular Weight:
294.1621
MDL Number:
MFCD11140720
IUPAC Name:
N-[(5-bromo-2-fluorophenyl)methyl]-1-phenylmethanamine
InChI:
InChI=1S/C14H13BrFN/c15-13-6-7-14(16)12(8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2
InChI Key:
NDINODOEORPMRD-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)CNCc1ccccc1)F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.167g/mol
Monoisotopic Mass:
293.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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