3-Amino-6-chloro-2-pyrazinecarboxylic Acid - CAS 2727-13-1
Catalog: |
BB019516 |
Product Name: |
3-Amino-6-chloro-2-pyrazinecarboxylic Acid |
CAS: |
2727-13-1 |
Synonyms: |
3-amino-6-chloro-2-pyrazinecarboxylic acid; 3-amino-6-chloropyrazine-2-carboxylic acid |
IUPAC Name: | 3-amino-6-chloropyrazine-2-carboxylic acid |
Description: | 3-Amino-6-chloro-2-pyrazinecarboxylic Acid (CAS# 2727-13-1) is a useful research chemical. |
Molecular Weight: | 173.56 |
Molecular Formula: | C5H4ClN3O2 |
Canonical SMILES: | C1=C(N=C(C(=N1)N)C(=O)O)Cl |
InChI: | InChI=1S/C5H4ClN3O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H2,7,8)(H,10,11) |
InChI Key: | TZEPSUWOCPVNMM-UHFFFAOYSA-N |
Boiling Point: | 402.167 °C at 760 mmHg |
Density: | 1.691 g/cm3 |
MDL: | MFCD10697761 |
LogP: | 0.99160 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-108101857-A | That produces the bromo- 6- chloropyrazines of 2- amino -3- can amplification technique | 20161124 |
EP-3472154-A1 | Compounds | 20160621 |
JP-2019519616-A | Compound | 20160621 |
US-2019233402-A1 | Compounds | 20160621 |
WO-2017221008-A1 | Compounds | 20160621 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.9992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.9992041 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 89.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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