AG00C18S

2727-13-1 | 3-Amino-6-chloropyrazine-2-carboxylic acid

AG00C18S

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CAS Number	2727-13-1
Catalog Number	AG00C18S(AGN-PC-0NIJ10)
Chemical Name	3-Amino-6-chloropyrazine-2-carboxylic acid
IUPAC Name	3-amino-6-chloropyrazine-2-carboxylic acid
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
MDL Number	MFCD10697761
Molecular Formula	C5H4ClN3O2
Molecular Weight	173.5572
SMILES	NC1=NC=C(N=C1C(=O)O)Cl
Synonyms	3-amino-6-chloropyrazine-2-carboxylic acid, 2727-13-1, 3-amino-6-chloro-2-pyrazinecarboxylic acid, Pyrazinecarboxylic acid, 3-amino-6-chloro-, 2-Pyrazinecarboxylic acid, 3-amino-6-chloro-, KSC199O9H, SCHEMBL1318334, CTK0J9793, DTXSID80488246, TZEPSUWOCPVNMM-UHFFFAOYSA-N, BCP03892, KS-00000HQ9, 2-amino-3-carboxy-5-chloropyrazine, ANW-51515, MFCD10697761, ZINC38540610, AKOS006304138, AB60427, BCP9000124, CA-1663, QC-6931, RP23580, RP23582, AJ-96466, AK-30466, AS-18253, BR-30466, EN000842, SC-24727, AB0023885, AB1006178, DB-022250, ST2410461, TR-012268, 2-Pyrazinecarboxylicacid, 3-amino-6-chloro-, 4CH-003012, AM20080962, FT-0653325, W5038, S-6151, 3-azanyl-6-chloranyl-pyrazine-2-carboxylic acid, 727A131, A818987, I03-0233, J-511669, C5H4ClN3O2, ACN-051308, 3-amino-6-chloropyrazine-2-carboxylicacid, C2618,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.999g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	173.556g/mol
Monoisotopic Mass	172.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	89.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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