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168112-89-8 | Benzenemethanol, α-(aminomethyl)-3-chloro-, (αS)-
CAS No: 168112-89-8 Catalog No: AG001XU3 MDL No:MFCD09260578
Product Description
Catalog Number:
AG001XU3
Chemical Name:
Benzenemethanol, α-(aminomethyl)-3-chloro-, (αS)-
CAS Number:
168112-89-8
Molecular Formula:
C8H10ClNO
Molecular Weight:
171.6241
MDL Number:
MFCD09260578
IUPAC Name:
(1S)-2-amino-1-(3-chlorophenyl)ethanol
InChI:
InChI=1S/C8H10ClNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1
InChI Key:
STJIXOUDTUPEEL-MRVPVSSYSA-N
SMILES:
NC[C@H](c1cccc(c1)Cl)O
Properties
Complexity:
121
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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