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1019618-98-4 | Benzenemethanamine, 5-bromo-N-butyl-2-fluoro-
CAS No: 1019618-98-4 Catalog No: AG00063Q MDL No:MFCD11151689
Product Description
Catalog Number:
AG00063Q
Chemical Name:
Benzenemethanamine, 5-bromo-N-butyl-2-fluoro-
CAS Number:
1019618-98-4
Molecular Formula:
C11H15BrFN
Molecular Weight:
260.1459
MDL Number:
MFCD11151689
IUPAC Name:
N-[(2-bromo-5-fluorophenyl)methyl]butan-1-amine
InChI:
InChI=1S/C11H15BrFN/c1-2-3-6-14-8-9-7-10(13)4-5-11(9)12/h4-5,7,14H,2-3,6,8H2,1H3
InChI Key:
GARKVJOFRRHBEG-UHFFFAOYSA-N
SMILES:
CCCCNCc1cc(Br)ccc1F
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.15g/mol
Monoisotopic Mass:
259.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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