2-Amino-5-methoxy-4-nitrobenzyl Alcohol - CAS 1378466-04-6
Catalog: |
BB008655 |
Product Name: |
2-Amino-5-methoxy-4-nitrobenzyl Alcohol |
CAS: |
1378466-04-6 |
Synonyms: |
(2-amino-5-methoxy-4-nitrophenyl)methanol; (2-amino-5-methoxy-4-nitrophenyl)methanol |
IUPAC Name: | (2-amino-5-methoxy-4-nitrophenyl)methanol |
Description: | 2-Amino-5-methoxy-4-nitrobenzyl Alcohol (CAS# 1378466-04-6 ) is a useful research chemical. |
Molecular Weight: | 198.18 |
Molecular Formula: | C8H10N2O4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)CO)N)[N+](=O)[O-] |
InChI: | InChI=1S/C8H10N2O4/c1-14-8-2-5(4-11)6(9)3-7(8)10(12)13/h2-3,11H,4,9H2,1H3 |
InChI Key: | PPWCQYLWIMCVDY-UHFFFAOYSA-N |
LogP: | 1.78230 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0640568 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0640568 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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