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1263284-21-4 | Benzenemethanamine, 3-chloro-5-fluoro-α-methyl-
CAS No: 1263284-21-4 Catalog No: AG000SMF MDL No:MFCD17676568
Product Description
Catalog Number:
AG000SMF
Chemical Name:
Benzenemethanamine, 3-chloro-5-fluoro-α-methyl-
CAS Number:
1263284-21-4
Molecular Formula:
C8H9ClFN
Molecular Weight:
173.6152
MDL Number:
MFCD17676568
IUPAC Name:
1-(3-chloro-5-fluorophenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C8H9ClFN.ClH/c1-5(11)6-2-7(9)4-8(10)3-6;/h2-5H,11H2,1H3;1H
InChI Key:
YTFYFLQQTPBAHS-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1)C(N)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.073g/mol
Monoisotopic Mass:
209.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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