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1001050-27-6

1001050-27-6 | 2-Pyrazinamine, 3-chloro-5-phenyl-

CAS No: 1001050-27-6 Catalog No: AG0000YJ MDL No:

Product Description

Catalog Number:
AG0000YJ
Chemical Name:
2-Pyrazinamine, 3-chloro-5-phenyl-
CAS Number:
1001050-27-6
Molecular Formula:
C10H8ClN3
Molecular Weight:
205.6436
IUPAC Name:
3-chloro-5-phenylpyrazin-2-amine
InChI:
InChI=1S/C10H8ClN3/c11-9-10(12)13-6-8(14-9)7-4-2-1-3-5-7/h1-6H,(H2,12,13)
InChI Key:
ZKYQKRVASIYCFX-UHFFFAOYSA-N
SMILES:
Clc1nc(cnc1N)c1ccccc1

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.041g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.645g/mol
Monoisotopic Mass:
205.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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