3-(Hydroxymethyl)-5-nitroaniline - CAS 90390-46-8
Catalog: |
BB039842 |
Product Name: |
3-(Hydroxymethyl)-5-nitroaniline |
CAS: |
90390-46-8 |
Synonyms: |
(3-amino-5-nitrophenyl)methanol; (3-amino-5-nitrophenyl)methanol |
IUPAC Name: | (3-amino-5-nitrophenyl)methanol |
Description: | 3-(Hydroxymethyl)-5-nitroaniline (CAS# 90390-46-8) is a useful research chemical. |
Molecular Weight: | 168.15 |
Molecular Formula: | C7H8N2O3 |
Canonical SMILES: | C1=C(C=C(C=C1N)[N+](=O)[O-])CO |
InChI: | InChI=1S/C7H8N2O3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4,8H2 |
InChI Key: | QOQKOVFSUNXURX-UHFFFAOYSA-N |
Boiling Point: | 425.876 °C at 760 mmHg |
Density: | 1.433 g/cm3 |
MDL: | MFCD08236778 |
LogP: | 1.77370 |
Publication Number | Title | Priority Date |
CA-3001085-A1 | Novel modified macrocyclic compounds | 20151008 |
EP-3359544-A1 | Novel modified macrocyclic compounds | 20151008 |
JP-2018532735-A | Novel modified macrocycles | 20151008 |
TW-201718585-A | Novel modified macrocyclic compound | 20151008 |
US-10214542-B2 | Modified macrocyclic compounds | 20151008 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 92.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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