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14399-37-2 | 2-Pyrazinamine, 3,6-dichloro-
CAS No: 14399-37-2 Catalog No: AG001IQ6 MDL No:MFCD14581977
Product Description
Catalog Number:
AG001IQ6
Chemical Name:
2-Pyrazinamine, 3,6-dichloro-
CAS Number:
14399-37-2
Molecular Formula:
C4H3Cl2N3
Molecular Weight:
163.9927
MDL Number:
MFCD14581977
IUPAC Name:
3,6-dichloropyrazin-2-amine
InChI:
InChI=1S/C4H3Cl2N3/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,7,9)
InChI Key:
CJXBBQKTUJXSGF-UHFFFAOYSA-N
SMILES:
Clc1cnc(c(n1)N)Cl
Properties
Complexity:
99.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.97g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.989g/mol
Monoisotopic Mass:
162.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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