1,2-Ethanediol, 1-(2-chlorophenyl)-, (1S)-


Chemical Name: 1,2-Ethanediol, 1-(2-chlorophenyl)-, (1S)-
CAS Number: 133082-13-0
Product Number: AG00147V(AGN-PC-0O139Q)
Synonyms:
MDL No: MFCD01863241
Molecular Formula: C8H9ClO2
Molecular Weight: 172.6089

Identification/Properties


Computed Properties
Molecular Weight:
172.608g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
172.029g/mol
Monoisotopic Mass:
172.029g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
119
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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