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

Technical Data

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Computed Properties

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

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

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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

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