(S)-1-(3-Nitrophenyl)ethanol - CAS 103966-65-0
Catalog: |
BB047299 |
Product Name: |
(S)-1-(3-Nitrophenyl)ethanol |
CAS: |
103966-65-0 |
Synonyms: |
Benzenemethanol, alpha-methyl-3-nitro-, (alphaS)- |
IUPAC Name: | (1S)-1-(3-nitrophenyl)ethanol |
Description: | (S)-1-(3-Nitrophenyl)ethanol (CAS# 103966-65-0 ) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC(C1=CC(=CC=C1)[N+](=O)[O-])O |
InChI: | InChI=1S/C8H9NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-6,10H,1H3/t6-/m0/s1 |
InChI Key: | FRPQAVXDUWMFCK-LURJTMIESA-N |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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