6LE
Summary
Name: | (1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol |
Formula: | C8 H10 Cl N O |
Formal charge: | 0 |
Formula weight: | 171.624 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol |
OpenEye OEToolkits | 2.0.4 | (1~{S})-2-azanyl-1-(4-chlorophenyl)ethanol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(ccc(c1)C(CN)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1 |
InChIKey | InChI | 1.03 | QPHAZZJNYDEVHL-MRVPVSSYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC[C@@H](O)c1ccc(Cl)cc1 |
SMILES | CACTVS | 3.385 | NC[CH](O)c1ccc(Cl)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1[C@@H](CN)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1C(CN)O)Cl |