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161229-01-2 | Benzenemethanol, 3,4-dichloro-α-[2-(dimethylamino)ethyl]-, (αS)-
CAS No: 161229-01-2 Catalog No: AG001S9K MDL No:
Product Description
Catalog Number:
AG001S9K
Chemical Name:
Benzenemethanol, 3,4-dichloro-α-[2-(dimethylamino)ethyl]-, (αS)-
CAS Number:
161229-01-2
Molecular Formula:
C11H15Cl2NO
Molecular Weight:
248.1489
IUPAC Name:
(1S)-1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
InChI:
InChI=1S/C11H15Cl2NO/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8/h3-4,7,11,15H,5-6H2,1-2H3/t11-/m0/s1
InChI Key:
MXOPILVGQYKXRO-NSHDSACASA-N
SMILES:
CN(CC[C@@H](c1ccc(c(c1)Cl)Cl)O)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.147g/mol
Monoisotopic Mass:
247.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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