3-Amino-4-methyl-2-nitrobenzoic Acid - CAS 37901-90-9
Catalog: |
BB023458 |
Product Name: |
3-Amino-4-methyl-2-nitrobenzoic Acid |
CAS: |
37901-90-9 |
Synonyms: |
3-amino-4-methyl-2-nitrobenzoic acid; 3-amino-4-methyl-2-nitrobenzoic acid |
IUPAC Name: | 3-amino-4-methyl-2-nitrobenzoic acid |
Description: | 3-Amino-4-methyl-2-nitrobenzoic Acid (CAS# 37901-90-9 ) is a useful research chemical. |
Molecular Weight: | 196.16 |
Molecular Formula: | C8H8N2O4 |
Canonical SMILES: | CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])N |
InChI: | InChI=1S/C8H8N2O4/c1-4-2-3-5(8(11)12)7(6(4)9)10(13)14/h2-3H,9H2,1H3,(H,11,12) |
InChI Key: | JLWAVVAJFWDXEF-UHFFFAOYSA-N |
Boiling Point: | 444.8 °C at 760 mmHg |
Density: | 1.482 g/cm3 |
LogP: | 2.28800 |
Publication Number | Title | Priority Date |
CA-3063440-A1 | Covalent inhibitors of kras | 20170525 |
CN-110869358-A | Covalent inhibitors of KRAS | 20170525 |
EP-3630745-A2 | Covalent inhibitors of kras | 20170525 |
KR-20200010306-A | Covalent Inhibitors of KRAS | 20170525 |
TW-201900633-A | KRAS covalent inhibitor | 20170525 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.04840674 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 109 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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