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1632286-29-3 | 2-Pyrazinecarboxylic acid, 5-amino-3,6-dichloro-
CAS No: 1632286-29-3 Catalog No: AG001TXC MDL No:
Product Description
Catalog Number:
AG001TXC
Chemical Name:
2-Pyrazinecarboxylic acid, 5-amino-3,6-dichloro-
CAS Number:
1632286-29-3
Molecular Formula:
C5H3Cl2N3O2
Molecular Weight:
208.0022
IUPAC Name:
5-amino-3,6-dichloropyrazine-2-carboxylic acid
InChI:
InChI=1S/C5H3Cl2N3O2/c6-2-1(5(11)12)9-3(7)4(8)10-2/h(H2,8,10)(H,11,12)
InChI Key:
NFUFJWKZYAZIFF-UHFFFAOYSA-N
SMILES:
Clc1nc(C(=O)O)c(nc1N)Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.998g/mol
Monoisotopic Mass:
206.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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