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127428-62-0 | Benzeneethanol, β-amino-2-chloro-
CAS No: 127428-62-0 Catalog No: AG000X2K MDL No:MFCD09750965
Product Description
Catalog Number:
AG000X2K
Chemical Name:
Benzeneethanol, β-amino-2-chloro-
CAS Number:
127428-62-0
Molecular Formula:
C8H10ClNO
Molecular Weight:
171.6241
MDL Number:
MFCD09750965
IUPAC Name:
2-amino-2-(2-chlorophenyl)ethanol
InChI:
InChI=1S/C8H10ClNO/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4,8,11H,5,10H2
InChI Key:
HALZSHRJUMADMG-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1Cl)N
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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