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191109-51-0 | Benzeneethanol, β-amino-4-chloro-, (βS)-
CAS No: 191109-51-0 Catalog No: AG002F1Y MDL No:MFCD12758103
Product Description
Catalog Number:
AG002F1Y
Chemical Name:
Benzeneethanol, β-amino-4-chloro-, (βS)-
CAS Number:
191109-51-0
Molecular Formula:
C8H10ClNO
Molecular Weight:
171.6241
MDL Number:
MFCD12758103
IUPAC Name:
(2S)-2-amino-2-(4-chlorophenyl)ethanol
InChI:
InChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,11H,5,10H2/t8-/m1/s1
InChI Key:
AJASJZNNGLIKBY-MRVPVSSYSA-N
SMILES:
OC[C@H](c1ccc(cc1)Cl)N
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
171.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.624g/mol
Monoisotopic Mass:
171.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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