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1000878-48-7 | Benzenemethanamine, 2-chloro-6-fluoro-α-methyl-, hydrochloride (1:1), (αS)-
CAS No: 1000878-48-7 Catalog No: AG0000UX MDL No:MFCD12757994
Product Description
Catalog Number:
AG0000UX
Chemical Name:
Benzenemethanamine, 2-chloro-6-fluoro-α-methyl-, hydrochloride (1:1), (αS)-
CAS Number:
1000878-48-7
Molecular Formula:
C8H10Cl2FN
Molecular Weight:
210.0761
MDL Number:
MFCD12757994
IUPAC Name:
(1S)-1-(2-chloro-6-fluorophenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C8H9ClFN.ClH/c1-5(11)8-6(9)3-2-4-7(8)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChI Key:
PUBRSCIMJQYMNY-JEDNCBNOSA-N
SMILES:
C[C@@H](c1c(F)cccc1Cl)N.Cl
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
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