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150025-93-7 | Benzenemethanamine, 3,4-dichloro-α-methyl-, (αS)-
CAS No: 150025-93-7 Catalog No: AG001M93 MDL No:MFCD07772667
Product Description
Catalog Number:
AG001M93
Chemical Name:
Benzenemethanamine, 3,4-dichloro-α-methyl-, (αS)-
CAS Number:
150025-93-7
Molecular Formula:
C8H9Cl2N
Molecular Weight:
190.0698
MDL Number:
MFCD07772667
IUPAC Name:
(1S)-1-(3,4-dichlorophenyl)ethanamine
InChI:
InChI=1S/C8H9Cl2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m0/s1
InChI Key:
UJUFOUVXOUYYRG-YFKPBYRVSA-N
SMILES:
C[C@@H](c1ccc(c(c1)Cl)Cl)N
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.067g/mol
Monoisotopic Mass:
189.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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