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1016741-73-3 | Benzenemethanamine, 5-bromo-2-fluoro-N-(1-methylethyl)-
CAS No: 1016741-73-3 Catalog No: AG00056B MDL No:MFCD09810839
Product Description
Catalog Number:
AG00056B
Chemical Name:
Benzenemethanamine, 5-bromo-2-fluoro-N-(1-methylethyl)-
CAS Number:
1016741-73-3
Molecular Formula:
C10H13BrFN
Molecular Weight:
246.1193
MDL Number:
MFCD09810839
IUPAC Name:
N-[(5-bromo-2-fluorophenyl)methyl]propan-2-amine
InChI:
InChI=1S/C10H13BrFN/c1-7(2)13-6-8-5-9(11)3-4-10(8)12/h3-5,7,13H,6H2,1-2H3
InChI Key:
IXXUYKRGUZVACR-UHFFFAOYSA-N
SMILES:
CC(NCc1cc(Br)ccc1F)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.123g/mol
Monoisotopic Mass:
245.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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