5-Methyl-2-nitrobenzyl alcohol - CAS 66424-92-8
Catalog: |
BB033032 |
Product Name: |
5-Methyl-2-nitrobenzyl alcohol |
CAS: |
66424-92-8 |
Synonyms: |
(5-methyl-2-nitrophenyl)methanol |
IUPAC Name: | (5-methyl-2-nitrophenyl)methanol |
Description: | 5-Methyl-2-nitrobenzyl alcohol (CAS# 66424-92-8) is a useful research chemical compound. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=CC(=C(C=C1)[N+](=O)[O-])CO |
InChI: | InChI=1S/C8H9NO3/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-4,10H,5H2,1H3 |
InChI Key: | IKEYTRGLCHZQHO-UHFFFAOYSA-N |
Boiling Point: | 314.9 ℃ at 760 mmHg |
Melting Point: | 66-67 ℃ |
Purity: | 95 % |
Density: | 1.272 g/cm3 |
Appearance: | Yellow-orange powder |
MDL: | MFCD00007370 |
LogP: | 1.91870 |
Publication Number | Title | Priority Date |
WO-2021143924-A1 | Boric acid derivative | 20200119 |
CN-110835361-A | Sialic acid glycosyl donor and preparation method and application thereof | 20191021 |
US-2021114989-A1 | Piperazine substituted azapine derivatives and uses thereof | 20191021 |
WO-2021080997-A1 | 3-(4-(11h-dibenzo[b,e][1,4]azepin-6-yl)piperazin-1-yl)- and 3-(4-(dibenzo[b,f][1,4]oxazepin/thiazepin/diazepin-11-yl)piperazin-1-yl)-propano ic acid derivatives as h1 and 5-ht2a-receptor modulators for the treatment of sleep disorders | 20191021 |
US-11046651-B2 | Piperazine substituted azapine derivatives and uses thereof | 20191021 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 0.6 |
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