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1263375-37-6 | 2-Pyrazinamine, 6-bromo-3-chloro-N-[(tetrahydro-2H-pyran-4-yl)methyl]-
CAS No: 1263375-37-6 Catalog No: AG000SNR MDL No:
Product Description
Catalog Number:
AG000SNR
Chemical Name:
2-Pyrazinamine, 6-bromo-3-chloro-N-[(tetrahydro-2H-pyran-4-yl)methyl]-
CAS Number:
1263375-37-6
Molecular Formula:
C10H13BrClN3O
Molecular Weight:
306.5867
IUPAC Name:
6-bromo-3-chloro-N-(oxan-4-ylmethyl)pyrazin-2-amine
InChI:
InChI=1S/C10H13BrClN3O/c11-8-6-13-9(12)10(15-8)14-5-7-1-3-16-4-2-7/h6-7H,1-5H2,(H,14,15)
InChI Key:
YXKRAUFWISENNB-UHFFFAOYSA-N
SMILES:
Clc1ncc(nc1NCC1CCOCC1)Br
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.993g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.588g/mol
Monoisotopic Mass:
304.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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